Basic information
- CAS
56439-53-3- Standard SMILES
CCCCCC(CN)C(=O)O- InChIKey
CYJQXMOJSMLOGT-UHFFFAOYSA-N- Molecular formula
- C8H17NO2
- Average molar mass
- 159.23 g/mol
- Monoisotopic mass
- 159.12592879
Names & identifiers
- Preferred name
- Heptanoic acid, 2-(aminomethyl)-
- IUPAC
- 2-(aminomethyl)heptanoic acid
- English name
- Heptanoic acid, 2-(aminomethyl)-
- Molecular formula
- C8H17NO2
- Molecular weight
- 159.23
Names & synonyms
56439-53-3Heptanoic acid, 2-(aminomethyl)-SCHEMBL626958DB-326446
Database identifiers
- CAS
56439-53-3- PubChem CID
- 45122143
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 115
Physicochemical properties
- Boiling point
- 273.2 · 273.2±23.0 °C(Predicted)
- Density
- 0.999 · 0.999±0.06 g/cm3(Predicted)
- pka
- 3.51 · 3.51±0.21(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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