Benzoic acid, 3-((dimethylamino)methyl)-4-hydroxy, methyl ester
Basic information
- CAS
6279-52-3- Standard SMILES
COC(=O)c1ccc(O)c(CN(C)C)c1- InChIKey
NVJULERDNIHRBR-UHFFFAOYSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Names & identifiers
- Preferred name
- Benzoic acid, 3-((dimethylamino)methyl)-4-hydroxy, methyl ester
- IUPAC
- methyl 3-[(dimethylamino)methyl]-4-hydroxybenzoate
Names & synonyms
6279-52-3Methyl 3-((dimethylamino)methyl)-4-hydroxybenzoateNSC 11374BRN 2976380BENZOIC ACID, 3-((DIMETHYLAMINO)METHYL)-4-HYDROXY, METHYL ESTER3-((Dimethylamino)methyl)-4-hydroxybenzoic acid methyl esterDTXSID302118640-14-00-00602 (Beilstein Handbook Reference)methyl 3-[(dimethylamino)methyl]-4-hydroxybenzoateRefChem:327123DTXCID60134355TMD8GX4BE6
Show more names
NSC-11374methyl 3-(dimethylaminomethyl)-4-hydroxybenzoateNSC11374UNII-TMD8GX4BE6SCHEMBL8387915
Database identifiers
- CAS
6279-52-3- PubChem CID
- 22676
- DTXSID
DTXSID30211864- UNII
- TMD8GX4BE6
- Nikkaji
- J83.369J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 218
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…