TL;DR: Carbamic acid, methyl-, 3-(1-(dimethylamino)propyl)phenyl ester, hydrochloride (CAS 63982-42-3) is a chemical compound with molecular formula C13H21ClN2O2 and molecular weight 272.12915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl-[1-[3-(methylcarbamoyloxy)phenyl]propyl]azanium chloride
Also Known As: T-1894, CARBAMIC ACID, METHYL-, 3-(1-(DIMETHYLAMINO)PROPYL)PHENYL ESTER, HYDROCHLORIDE, Carbamic acid, N-methyl-, 3-(alpha-dimethylaminopropyl)phenyl ester, hydrochloride, dimethyl-[1-[3-(methylcarbamoyloxy)phenyl]propyl]azanium chloride, Phenol, 3-[1-(dimethylamino)propyl]-, methylcarbamate (ester), monohydrochloride
| Molecular Formula | C13H21ClN2O2 |
| Molecular Weight | 272.12915 g/mol |
| XLogP | -2.0 |
| Topological Polar Surface Area (TPSA) | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.12915 Da |
| Heavy Atoms | 18 |
| Complexity | 244.0 |
| SMILES | CCC(C1=CC(=CC=C1)OC(=O)NC)[NH+](C)C.[Cl-] |
| InChIKey | SWQYCIRIDSXJCZ-UHFFFAOYSA-N |
The XLogP value of -2.0 indicates that Carbamic acid, methyl-, 3-(1-(dimethylamino)propyl)phenyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.8 Ų, Carbamic acid, methyl-, 3-(1-(dimethylamino)propyl)phenyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, methyl-, 3-(1-(dimethylamino)propyl)phenyl ester, hydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Carbamic acid, methyl-, 3-(1-(dimethylamino)propyl)phenyl ester, hydrochloride is 63982-42-3.
The molecular formula of Carbamic acid, methyl-, 3-(1-(dimethylamino)propyl)phenyl ester, hydrochloride is C13H21ClN2O2.
The molecular weight of Carbamic acid, methyl-, 3-(1-(dimethylamino)propyl)phenyl ester, hydrochloride is 272.12915 g/mol.
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