Methyl 3-amino-4-(hexadecyloxy)benzoate
Basic information
- CAS
2497-65-6- Standard SMILES
CCCCCCCCCCCCCCCCOc1ccc(C(=O)OC)cc1N- InChIKey
PICGZONBJRKQLK-UHFFFAOYSA-N- Molecular formula
- C24H41NO3
- Average molar mass
- 391.6 g/mol
- Monoisotopic mass
- 391.30864417
Names & identifiers
- Preferred name
- Methyl 3-amino-4-(hexadecyloxy)benzoate
- IUPAC
- methyl 3-amino-4-hexadecoxybenzoate
- English name
- Benzoicacid, 3-amino-4-(hexadecyloxy)-, methyl ester
- Molecular formula
- C24H41NO3
- Molecular weight
- 391.58724
Names & synonyms
2497-65-6methyl 3-amino-4-(hexadecyloxy)benzoateNSC151111DTXSID60947841AKOS024429250NSC-151111METHYL 3-AMINO-4-HEXADECYLOXYBENZOATEBenzoicacid, 3-amino-4-(hexadecyloxy)-, methyl ester
Database identifiers
- CAS
2497-65-6- PubChem CID
- 289375
- DTXSID
DTXSID60947841
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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