3,5-Bis[(dimethylamino)methyl]-4-hydroxybenzoic acid
Basic information
- CAS
6333-24-0- Standard SMILES
CN(C)Cc1cc(C(=O)O)cc(CN(C)C)c1O- InChIKey
YGQVYFAHDYFWHO-UHFFFAOYSA-N- Molecular formula
- C13H20N2O3
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.1473925
Names & identifiers
- Preferred name
- 3,5-Bis[(dimethylamino)methyl]-4-hydroxybenzoic acid
- IUPAC
- 3,5-bis[(dimethylamino)methyl]-4-hydroxybenzoic acid
Names & synonyms
NSC385286333-24-03,5-bis[(dimethylamino)methyl]-4-hydroxybenzoic acidNSC-385283,5-bis((dimethylamino)methyl)-4-hydroxybenzoic acidNCIStruc1_000404NCIStruc2_000612Benzoic acid,3,5-bis[(dimethylamino)methyl]-4-hydroxy-CHEMBL1607925DTXSID20284704NCI38528CCG-38099
Show more names
NCGC00013444NCGC00013444-02NCGC00096559-01NCI60_003680DS-010421
Database identifiers
- CAS
6333-24-0- PubChem CID
- 236265
- DTXSID
DTXSID20284704- ChEMBL
CHEMBL1607925
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 261
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Compound notes
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