Basic information
- CAS
106926-14-1- Standard SMILES
CC(NC(=O)CCCCCCCC(=O)O)c1ccccc1- InChIKey
MYQBZVQSSMCIDR-UHFFFAOYSA-N- Molecular formula
- C17H25NO3
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.18344366
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-(alpha-methylbenzyl)azelaamic acid
- IUPAC
- 9-oxo-9-(1-phenylethylamino)nonanoic acid
- English name
- N-(alpha-methylbenzyl)azelaamic acid
- Molecular weight
- 0
Names & synonyms
Mbalaa106926-14-1N-(alpha-Methylbenzyl)azelaamic acidRefChem:162302DTXSID409101799-Hydroxy-9-[(1-phenylethyl)imino]nonanoic acidNonanoic acid, 9-oxo-9-((1-phenylethyl)amino)-
Database identifiers
- CAS
106926-14-1- PubChem CID
- 129474
- DTXSID
DTXSID40910179- Nikkaji
- J1.949.945F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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