Substances (GSRS)

CYCLOHEXANAMINE, N,N-DIETHYL-, DODECYL SULFATE

Also: CYCLOHEXYLDIETHYLAMMONIUM LAURYL SULFATE, DODECYL SULFATE, COMPD. WITH N,N-DIETHYLCYCLOHEXYLAMINE, LAURYL SULFATE MONOESTER DIETHYLCYCLOHEX…

chemicalUNII C1T2UM80LH
Open FDA's page for this record
Substance class
chemical
Definition type
PRIMARY
Definition level
COMPLETE
Uuid
c6d9bcb7-1455-450d-b808-7638730420b1
Version
6
UNII
C1T2UM80LH
Codes
  1. Uuid
    3bed0bcb-8913-47bd-b170-6ecd6b027e09
    Code
    13106-15-5
    Type
    PRIMARY
    Url
    https://commonchemistry.cas.org/detail?cas_rn=13106-15-5
    Code system
    CAS
    References
    9a894aa4-122b-43a3-8b22-f6d668128295, c25e59fe-360b-45d3-ae6f-66ec2d731c36
  2. Uuid
    f425d1e7-ab41-4bff-8cdd-947e8e6934b7
    Code
    236-028-7
    Type
    PRIMARY
    Url
    https://echa.europa.eu/substance-information/-/substanceinfo/100.032.738
    Code system
    ECHA (EC/EINECS)
    References
    9a894aa4-122b-43a3-8b22-f6d668128295
  3. Uuid
    ccbf61d5-f50b-7d2f-9d8c-83abafd49d94
    Code
    DTXSID5065354
    Type
    PRIMARY
    Url
    https://comptox.epa.gov/dashboard/chemical/details/DTXSID5065354
    Code system
    EPA CompTox
    References
    1f7742ad-62d2-62ac-bf04-2563f1641900
  4. Uuid
    c72c3f4f-5ba4-ad20-7c1b-9cfff5bf3c05
    Code
    61570
    Type
    PRIMARY
    Url
    https://pubchem.ncbi.nlm.nih.gov/compound/61570
    Code system
    PUBCHEM
    References
    0896fdd1-3761-1262-a0e4-76d04a135742
  5. Uuid
    b9846074-942e-49c3-8dfe-7fb67e134ccd
    Code
    C1T2UM80LH
    Type
    PRIMARY
    Code system
    FDA UNII
Names
  1. Uuid
    bab677bf-17fd-45f0-8bc9-775114171551
    Name
    CYCLOHEXANAMINE, N,N-DIETHYL-, DODECYL SULFATE
    StdName
    CYCLOHEXANAMINE, N,N-DIETHYL-, DODECYL SULFATE
    Type
    cn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    faa1c033-6320-4e19-bc1f-079383077f37, feb4aecc-b545-4fc4-ae79-91dd814bc074
  2. Uuid
    66758e8c-38d5-428a-8457-4cb1ad661ed0
    Name
    CYCLOHEXYLDIETHYLAMMONIUM LAURYL SULFATE
    StdName
    CYCLOHEXYLDIETHYLAMMONIUM LAURYL SULFATE
    Type
    sys
    Preferred
    false
    Display name
    true
    Languages
    en
    References
    faa1c033-6320-4e19-bc1f-079383077f37, feb4aecc-b545-4fc4-ae79-91dd814bc074
  3. Uuid
    9be4b46a-affd-4f7f-9dba-9eaffb2a098e
    Name
    DODECYL SULFATE, COMPD. WITH N,N-DIETHYLCYCLOHEXYLAMINE
    StdName
    DODECYL SULFATE, COMPD. WITH N,N-DIETHYLCYCLOHEXYLAMINE
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    faa1c033-6320-4e19-bc1f-079383077f37, feb4aecc-b545-4fc4-ae79-91dd814bc074
  4. Uuid
    217d07c8-c986-4fca-8a0d-a151a7f0fc50
    Name
    LAURYL SULFATE MONOESTER DIETHYLCYCLOHEXYLAMINE SALT
    StdName
    LAURYL SULFATE MONOESTER DIETHYLCYCLOHEXYLAMINE SALT
    Type
    cn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    faa1c033-6320-4e19-bc1f-079383077f37, feb4aecc-b545-4fc4-ae79-91dd814bc074
  5. Uuid
    5caba05b-295a-4d3f-b73d-b0bb176a8d47
    Name
    SULFURIC ACID, MONODODECYL ESTER, COMPD. WITH N,N-DIETHYLCYCLOHEXANAMINE (1:1)
    StdName
    SULFURIC ACID, MONODODECYL ESTER, COMPD. WITH N,N-DIETHYLCYCLOHEXANAMINE (1:1)
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    faa1c033-6320-4e19-bc1f-079383077f37, feb4aecc-b545-4fc4-ae79-91dd814bc074
  6. Uuid
    c83a52c9-bead-4926-ae11-307b66f023a1
    Name
    SULFURIC ACID, MONODODECYL ESTER, COMPD. WITH N,N-DIETHYLCYCLOHEXYLAMINE (1:1)
    StdName
    SULFURIC ACID, MONODODECYL ESTER, COMPD. WITH N,N-DIETHYLCYCLOHEXYLAMINE (1:1)
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    faa1c033-6320-4e19-bc1f-079383077f37, feb4aecc-b545-4fc4-ae79-91dd814bc074
References
  1. Uuid
    faa1c033-6320-4e19-bc1f-079383077f37
    Citation
    STN
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN, PUBLIC_DOMAIN_RELEASE, AUTO_SELECTED
  2. Uuid
    feb4aecc-b545-4fc4-ae79-91dd814bc074
    Citation
    STN (SCIFINDER)
    Doc type
    STN (SCIFINDER)
    Public domain
    true
    Tags
    NOMEN
  3. Uuid
    9a894aa4-122b-43a3-8b22-f6d668128295
    Citation
    SRS CODE IMPORT
    Doc type
    SRS
    Public domain
    true
    Document date
    1493392002000
    Tags
    NOMEN
  4. Uuid
    8c73ba91-97cf-4805-8935-64d20638ba40
    Citation
    SRS import [C1T2UM80LH]
    Url
    http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=C1T2UM80LH
    Doc type
    SRS
    Public domain
    true
    Document date
    1493392002000
    Tags
    NOMEN
  5. Uuid
    154b661b-5b09-4e5f-ae85-6ba21193a61a
    Citation
    CFSAN
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN
  6. Uuid
    1f7742ad-62d2-62ac-bf04-2563f1641900
    Citation
    WEBSITE
    Url
    https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=13106-15-5
    Doc type
    WEBSITE
    Public domain
    true
    Tags
    NOMEN, PUBLIC_DOMAIN_RELEASE
  7. Uuid
    0896fdd1-3761-1262-a0e4-76d04a135742
    Citation
    PUBCHEM
    Doc type
    PUBCHEM
    Public domain
    true
  8. Uuid
    c25e59fe-360b-45d3-ae6f-66ec2d731c36
    Citation
    STN
    Doc type
    STN (SCIFINDER)
    Public domain
    true
  9. Uuid
    947c53d0-a239-7db4-75eb-8508e87e0bd3
    Citation
    DailyMed
    Doc type
    DAILYMED
    Public domain
    true
Moieties
  1. Uuid
    a3cd6f3e-1459-4db7-b9a2-783ae79082de
    ID
    a3cd6f3e-1459-4db7-b9a2-783ae79082de
    Smiles
    CCN(CC)C1CCCCC1
    Formula
    C10H21N
    Atropisomerism
    No
    Charge
    0
    Count
    1
    Stereochemistry
    ACHIRAL
    Defined stereo
    0
    Ez centers
    0
    Molecular weight
    155.2808
    Optical activity
    NONE
    Stereo centers
    0
    Molfile

    Marvin 01132108312D 11 11 0 0 0 0 999 V2000 6.5320 -2.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9601 -3.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5519 -4.2119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2589 -4.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4779 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8350 -4.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 -4.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4111 -4.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4111 -5.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 -5.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8350 -5.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 3 4 1 0 0 0 0 6 3 1 0 0 0 0 4 5 1 0 0 0 0 6 7 1 0 0 0 0 11 6 1 0 0 0 0 8 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 M END

    Count amount
    Type
    MOL RATIO
    Average
    1
    Units
    MOL RATIO
    Uuid
    ef0335d4-e0f3-4587-9056-07cae027afad
  2. Uuid
    850e80b6-b11c-4220-8dda-be39f0e50c54
    ID
    850e80b6-b11c-4220-8dda-be39f0e50c54
    Smiles
    CCCCCCCCCCCCOS(=O)(=O)O
    Formula
    C12H26O4S
    Atropisomerism
    No
    Charge
    0
    Count
    1
    Stereochemistry
    ACHIRAL
    Defined stereo
    0
    Ez centers
    0
    Molecular weight
    266.399
    Optical activity
    NONE
    Stereo centers
    0
    Molfile

    Marvin 01132106542D 17 16 0 0 0 0 999 V2000 9.9573 -1.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2403 -0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 -1.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8264 -0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1095 -1.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4025 -0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6856 -1.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9786 -0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2617 -1.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5547 -0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8378 -1.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1309 -0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4239 -1.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.7169 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1251 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2888 -1.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 8 9 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 17 2 0 0 0 0 M END

    Count amount
    Type
    MOL RATIO
    Average
    1
    Units
    MOL RATIO
    Uuid
    71b66d39-45f4-4763-88b0-ba2c3a79a599
Structure
ID
852e3044-a94d-4780-b4ad-beb270425693
Smiles
CCCCCCCCCCCCOS(=O)(=O)O.CCN(CC)C1CCCCC1
Formula
C12H26O4S.C10H21N
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
ACHIRAL
Defined stereo
0
Ez centers
0
Molecular weight
421.6798
Optical activity
NONE
Stereo centers
0
Molfile

Marvin 01132106552D 28 27 0 0 0 0 999 V2000 0.7070 -0.7169 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2888 -1.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1251 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4239 -1.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1309 -0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8378 -1.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2403 -0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 -1.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9786 -0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6856 -1.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4025 -0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1095 -1.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8264 -0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5547 -0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2617 -1.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9573 -1.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4111 -4.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4111 -5.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 -5.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8350 -5.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8350 -4.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 -4.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5519 -4.2119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9601 -3.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5320 -2.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2589 -4.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4779 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 14 1 0 0 0 0 10 16 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 M END

References
154b661b-5b09-4e5f-ae85-6ba21193a61a, 8c73ba91-97cf-4805-8935-64d20638ba40
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