2-[(3,4-Dimethoxybenzyl)amino]benzoic acid
Basic information
- CAS
23145-60-0- Standard SMILES
COc1ccc(CNc2ccccc2C(=O)O)cc1OC- InChIKey
HCDPUYWUFGXMSQ-UHFFFAOYSA-N- Molecular formula
- C16H17NO4
- Average molar mass
- 287.31 g/mol
- Monoisotopic mass
- 287.11575802
Names & identifiers
- Preferred name
- 2-[(3,4-Dimethoxybenzyl)amino]benzoic acid
- IUPAC
- 2-[(3,4-dimethoxyphenyl)methylamino]benzoic acid
Names & synonyms
23145-60-02-[(3,4-dimethoxybenzyl)amino]benzoic acidNSC109963Maybridge3_005767Oprea1_236473Benzoic acid,2-[[(3,4-dimethoxyphenyl)methyl]amino]-DTXSID60296583HMS1447G03AKOS001458077NSC-109963IDI1_017154DS-010398
Show more names
2-{[(3,4-dimethoxyphenyl)methyl]amino}benzoic acidZ283688290
Database identifiers
- CAS
23145-60-0- PubChem CID
- 269302
- DTXSID
DTXSID60296583
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 336
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Related reactions
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Compound notes
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