Substances (GSRS)

1-PENTYNE, 3-METHYL-

Also: 2-ETHYL-3-BUTYNE, 3-METHYL-1-PENTYNE, NSC-134992 +1

chemicalUNII 33DA288VLR
Open FDA's page for this record
Substance class
chemical
Definition type
PRIMARY
Definition level
COMPLETE
Uuid
9ecbbc86-ba89-4ce2-b6d1-654457824eca
Version
9
UNII
33DA288VLR
Codes
  1. Uuid
    0494e663-99fa-4922-8c89-4e8b29da6eb0
    Code
    136704
    Type
    PRIMARY
    Url
    https://pubchem.ncbi.nlm.nih.gov/compound/136704
    Code system
    PUBCHEM
    References
    dfd35fe2-828e-b4dc-59e1-d9df9a1fc34b
  2. Uuid
    84a0cfbf-c698-4c57-a558-d502f77d8b73
    Code
    33DA288VLR
    Type
    PRIMARY
    Code system
    FDA UNII
  3. Uuid
    8bafd609-fb86-400e-87a0-397c2c86e4f7
    Code
    922-59-8
    Type
    PRIMARY
    Url
    https://commonchemistry.cas.org/detail?cas_rn=922-59-8
    Code system
    CAS
    References
    f9483d8a-1a5c-4ff6-ad26-978779a6582c
  4. Uuid
    6aeffe0b-35b9-c228-ecbe-73b44563a8bf
    Code
    134992
    Type
    PRIMARY
    Url
    https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=134992
    Code system
    NSC
    References
    e72ced18-0f52-39b9-6754-ca4ee4c956e8
  5. Uuid
    db3f66d2-1327-8765-68ad-2437bbb30d36
    Code
    DTXSID601350357
    Type
    PRIMARY
    Url
    https://comptox.epa.gov/dashboard/chemical/details/DTXSID601350357
    Code system
    EPA CompTox
    References
    18e97294-c0df-309d-d30e-89afd030e0b0
Names
  1. Uuid
    d1fb1f73-3a2a-4eef-9405-dc5c9f9d5474
    Name
    1-PENTYNE, 3-METHYL-
    StdName
    1-PENTYNE, 3-METHYL-
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    f9483d8a-1a5c-4ff6-ad26-978779a6582c
  2. Uuid
    e2a28f54-84e9-4e86-854d-5cd0c8fb7618
    Name
    2-ETHYL-3-BUTYNE
    StdName
    2-ETHYL-3-BUTYNE
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    f9483d8a-1a5c-4ff6-ad26-978779a6582c
  3. Uuid
    10edaf7b-8888-48f4-9158-3abab6db33c8
    Name
    3-METHYL-1-PENTYNE
    StdName
    3-METHYL-1-PENTYNE
    Type
    sys
    Preferred
    false
    Display name
    true
    Languages
    en
    References
    f9483d8a-1a5c-4ff6-ad26-978779a6582c
  4. Uuid
    03c61029-27c3-4c84-b161-cee60589e749
    Name
    NSC-134992
    StdName
    NSC-134992
    Type
    cd
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    f9483d8a-1a5c-4ff6-ad26-978779a6582c
  5. Uuid
    5dcdf219-103e-4cf9-ba39-5b2457e2f3c3
    Name
    SEC-BUTYLACETYLENE
    StdName
    SEC-BUTYLACETYLENE
    Type
    cn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    f9483d8a-1a5c-4ff6-ad26-978779a6582c
References
  1. Uuid
    dfd35fe2-828e-b4dc-59e1-d9df9a1fc34b
    Citation
    PUBCHEM
    Doc type
    PUBCHEM
    Public domain
    true
  2. Uuid
    f9483d8a-1a5c-4ff6-ad26-978779a6582c
    Citation
    STN
    Doc type
    STN (SCIFINDER)
    Public domain
    true
    Tags
    PUBLIC_DOMAIN_RELEASE
  3. Uuid
    e72ced18-0f52-39b9-6754-ca4ee4c956e8
    Citation
    NCI
    Doc type
    NCI DRUG DICTIONARY
    Public domain
    true
  4. Uuid
    18e97294-c0df-309d-d30e-89afd030e0b0
    Citation
    EPA CompTox
    Doc type
    EPA
    Public domain
    true
Moieties
  1. Uuid
    1d8ffe14-ce14-4d6b-a1f3-1a8601b8e6a1
    ID
    1d8ffe14-ce14-4d6b-a1f3-1a8601b8e6a1
    Smiles
    C#CC(C)CC
    Formula
    C6H10
    Atropisomerism
    No
    Charge
    0
    Count
    1
    Stereochemistry
    RACEMIC
    Defined stereo
    0
    Ez centers
    0
    Molecular weight
    82.1438
    Optical activity
    ( + / - )
    Stereo centers
    1
    Molfile

    Marvin 05192114162D 6 5 0 0 0 0 999 V2000 -1.4110 0.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6102 0.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0381 -0.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2669 -0.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7627 0.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5636 0.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 3 0 0 0 0 M END

    Count amount
    Type
    MOL RATIO
    Average
    1
    Units
    MOL RATIO
    Uuid
    af3b4c4c-71fc-4dab-9da3-baac8be60897
Structure
ID
fd744f4b-6d20-4d72-b00f-d7bbbb2a73e6
Smiles
C#CC(C)CC
Formula
C6H10
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
RACEMIC
Defined stereo
0
Ez centers
0
Molecular weight
82.1438
Optical activity
( + / - )
Stereo centers
1
Molfile

JSDraw205192110162D 6 5 0 0 0 0 0 V2000 22.3558 -6.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8699 -6.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9517 -7.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5191 -9.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4659 -7.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9802 -6.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 3 0 0 0 0 M END

References
f9483d8a-1a5c-4ff6-ad26-978779a6582c
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Data from openFDA, FDA's public API. FDA says not to rely on it to make decisions about medical care and to treat every result as unvalidated; confirm against FDA's own record and the product labeling. Not medical or legal advice.