4-Aminohexanoic acid
Basic information
- CAS
5415-99-6- Standard SMILES
CCC(N)CCC(=O)O- InChIKey
ROFNJLCLYMMXCT-UHFFFAOYSA-N- Molecular formula
- C6H13NO2
- Average molar mass
- 131.17 g/mol
- Monoisotopic mass
- 131.09462866
Names & identifiers
- Preferred name
- 4-Aminohexanoic acid
- IUPAC
- 4-aminohexanoic acid
- English name
- 4-Aminohexanoic acid
- Molecular formula
- C6H13NO2
- Molecular weight
- 131.17
Names & synonyms
4-Aminohexanoic acid5415-99-6NSC 11326RefChem:97852Hexanoic acid, 4-amino-, hydrochlorideHexanoic acid, 4-amino-g-aminocaproic acidSCHEMBL900872DTXSID301315354ALBB-018090NSC11326AKOS000277394
Show more names
AKOS017258812PD039843CS-0295981EN300-243358
Database identifiers
- CAS
5415-99-6- PubChem CID
- 138490
- DTXSID
DTXSID301315354
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 93.1
Physicochemical properties
- FDA UNII
- 907014 A4Q · R907014A4Q
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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