Benzyl 11-aminoundecanoate
Basic information
- CAS
139338-81-1- Standard SMILES
NCCCCCCCCCCC(=O)OCc1ccccc1- InChIKey
LNUIXOQRAVYACJ-UHFFFAOYSA-N- Molecular formula
- C18H29NO2
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.21982917
Names & identifiers
- Preferred name
- Benzyl 11-aminoundecanoate
- IUPAC
- benzyl 11-aminoundecanoate
Names & synonyms
Benzyl 11-aminoundecanoatePhenylmethyl 11-aminoundecanoateSCHEMBL24810919DTXSID601302877139338-81-1
Database identifiers
- CAS
139338-81-1- PubChem CID
- 85527593
- DTXSID
DTXSID601302877
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 250
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Compound notes
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