5-Aminohexanoic acid
Basic information
- CAS
628-47-7- Standard SMILES
CC(N)CCCC(=O)O- InChIKey
IPCUHQYGWOKSLR-UHFFFAOYSA-N- Molecular formula
- C6H13NO2
- Average molar mass
- 131.17 g/mol
- Monoisotopic mass
- 131.09462866
Names & identifiers
- Preferred name
- 5-Aminohexanoic acid
- IUPAC
- 5-aminohexanoic acid
- English name
- 5-Amino caproic acid
- Molecular formula
- C6H13NO2
- Molecular weight
- 131.17
Names & synonyms
5-Aminohexanoic acidHexanoic acid, 5-amino-delta-Aminocaproic acidBRN 1749088DTXSID509784624-04-00-02695 (Beilstein Handbook Reference)RefChem:101989DTXCID501405777IPCUHQYGWOKSLR-UHFFFAOYSA-N628-47-75-Aminocaproic acid5-amino-hexanoic acid
Show more names
RARECHEM AN KC 15145-amino-hexanoicaci5-Amino caproic acid5-Aminocapronic acid5-azanylhexanoic acid
5-AminohexanoicacidSCHEMBL146088SCHEMBL8852182SCHEMBL20239055AKOS006274603EN300-123334
Database identifiers
- CAS
628-47-7- PubChem CID
- 79087
- DTXSID
DTXSID50978462- Nikkaji
- J79.771E
Properties
Computed structural properties
- XLogP
- -2.3
- 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
- Melting point
- 172 °C · 172 °C
- Boiling point
- 247 · 247.0±23.0 °C(Predicted)
- Density
- 1.038 · 1.038±0.06 g/cm3(Predicted)
- pka
- 4.61 · 4.61±0.10(Predicted)
Related reactions
5 records
Compound notes
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