Basic information
- CAS
5959-36-4- Standard SMILES
CCOC(=O)CCCN- InChIKey
MAFQLJCYFMKEJJ-UHFFFAOYSA-N- Molecular formula
- C6H13NO2
- Average molar mass
- 131.17 g/mol
- Monoisotopic mass
- 131.09462866
Names & identifiers
- Preferred name
- gamma-Aminobutyric acid ethyl ester
- IUPAC
- ethyl 4-aminobutanoate
- English name
- Butanoic acid, 4-aMino-, ethyl ester
- Molecular formula
- C6H13NO2
- Molecular weight
- 131.17
Names & synonyms
ethyl 4-aminobutanoateEthyl 4-aminobutyrateButanoic acid, 4-amino-, ethyl ester4-Aminobutyric acid ethyl ester4-Aminobutanoic acid ethyl estergamma-Aminobutyric acid ethyl esterEthyl gamma-aminobutyrateUNII-1BW5958A8H1BW5958A8Hgamma-Aminobutyric acid ethyl ester [MI]DTXSID10208257ETHYL .GAMMA.-AMINOBUTYRATE
Show more names
.GAMMA.-AMINOBUTYRIC ACID ETHYL ESTER.GAMMA.-AMINOBUTYRIC ACID ETHYL ESTER [MI]RefChem:142276DTXCID301307485959-36-4MFCD00175692bmse000973NSC-40245
Database identifiers
- CAS
5959-36-4- PubChem CID
- 23365
- DTXSID
DTXSID10208257- ChEMBL
CHEMBL1741856- UNII
- 1BW5958A8H
- Nikkaji
- J263.671I
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83.1
Experimental & physicochemical properties
Dissociation Constants9.7
Physicochemical properties
- Boiling point
- 182 ℃ · 182℃
- Density
- 0.973 · 0.973
- Flash point
- 55 ℃ · 55℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 9.73 · 9.73±0.10(Predicted)
- LogP
- 0.35 · 0.350 (est)
- FDA UNII
- 1 BW5958A8H · 1BW5958A8H
Chemistry & industry
Suppliers19 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
南京承乾医药科技有限公司025-52791040 18652036685
Alchem Pharmtech,Inc.
Related reactions
19 records
Compound notes
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