Basic information
- CAS
68478-48-8- Standard SMILES
CCCCCCOCCCN.O=C(O)c1ccccc1- InChIKey
QPJIHNRQHTUXQX-UHFFFAOYSA-N- Molecular formula
- C16H27NO3
- Average molar mass
- 281.39 g/mol
- Monoisotopic mass
- 281.19909372
Names & identifiers
- Preferred name
- Benzoic acid;3-hexoxypropan-1-amine
- IUPAC
- benzoic acid;3-hexoxypropan-1-amine
Database identifiers
- CAS
68478-48-8- PubChem CID
- 110348
Properties
Computed structural properties
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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