Basic information
- CAS
13737-92-3- Standard SMILES
CCCCCCCOc1ccc(N)cc1C(=O)O- InChIKey
JWTCQQIBIXZJMM-UHFFFAOYSA-N- Molecular formula
- C14H21NO3
- Average molar mass
- 251.32 g/mol
- Monoisotopic mass
- 251.15214353
Names & identifiers
- Preferred name
- Benzoic acid, 5-amino-2-(heptyloxy)-
- IUPAC
- 5-amino-2-heptoxybenzoic acid
Names & synonyms
BENZOIC ACID, 5-AMINO-2-(HEPTYLOXY)-13737-92-35-Amino-2-(heptyloxy)benzoic acidM & B 8910BRN 2976334DTXSID80160151RefChem:327665DTXCID60826425-amino-2-heptoxybenzoic acidstarbld0039916orb1986423MFCD01660456
Show more names
AKOS009476316T30383
Database identifiers
- CAS
13737-92-3- PubChem CID
- 26239
- DTXSID
DTXSID80160151
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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