TL;DR: 3-[(Dimethylamino)methyl]-4-hydroxybenzoic acid (CAS 103095-57-4) is a chemical compound with molecular formula C10H13NO3 and molecular weight 195.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(dimethylamino)methyl]-4-hydroxybenzoic acid
Also Known As: 3-[(dimethylamino)methyl]-4-hydroxybenzoic acid, 3-dimethylaminomethyl-4-hydroxy-benzoic acid, 3-dimethylaminomethyl-4-hydroxy-benzoicacid, 3-(dimethylaminomethyl)-4-hydroxybenzoic acid, 3-((Dimethylamino)methyl)-4-hydroxybenzoic acid
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.08954 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 60.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.08954 Da |
| Heavy Atoms | 14 |
| Complexity | 206.0 |
| SMILES | CN(C)CC1=C(C=CC(=C1)C(=O)O)O |
| InChIKey | HOOAJZWFCABKPZ-UHFFFAOYSA-N |
The XLogP value of -1.4 indicates that 3-[(Dimethylamino)methyl]-4-hydroxybenzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Dimethylamino)methyl]-4-hydroxybenzoic acid. Following Lipinski's Rule of Five, 3-[(Dimethylamino)methyl]-4-hydroxybenzoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[(Dimethylamino)methyl]-4-hydroxybenzoic acid is 103095-57-4.
The molecular formula of 3-[(Dimethylamino)methyl]-4-hydroxybenzoic acid is C10H13NO3.
The molecular weight of 3-[(Dimethylamino)methyl]-4-hydroxybenzoic acid is 195.08954 g/mol.
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