Basic information
- CAS
15105-29-0- Standard SMILES
CCC(N)COC(C)=O- InChIKey
SCDHRSUWYYPXAY-UHFFFAOYSA-N- Molecular formula
- C6H13NO2
- Average molar mass
- 131.17 g/mol
- Monoisotopic mass
- 131.09462866
Names & identifiers
- Preferred name
- 2-Amino-1-butanol acetate
- IUPAC
- 2-aminobutyl acetate
- English name
- 2-Aminobutane acetate
- Molecular formula
- C6H15NO2
- Molecular weight
- 133.1888
Names & synonyms
2-AMINO-1-BUTANOL ACETATE2-Aminobutane acetate1-Butanol, 2-amino-, acetate (ester)UNII-O6272056N315105-29-0O6272056N3RefChem:1976582-aminobutyl acetateSCHEMBL10879793DTXSID00934159Q27285380
Database identifiers
- CAS
15105-29-0- PubChem CID
- 31050
- DTXSID
DTXSID00934159- UNII
- O6272056N3
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 93.1
Physicochemical properties
- FDA UNII
- 6272056 N3 · O6272056N3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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