TL;DR: propan-2-yl N-[(4-aminophenyl)methyl]carbamate hydrochloride (CAS 1049732-05-9) is a chemical compound with molecular formula C11H17ClN2O2 and molecular weight 244.09785 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl N-[(4-aminophenyl)methyl]carbamate;hydrochloride
Also Known As: propan-2-yl N-[(4-aminophenyl)methyl]carbamate hydrochloride, NIOSH/EY8529000, (p-Aminobenzyl)carbamic acid isopropyl ester hydrochloride, propan-2-yl N-[(4-aminophenyl)methyl]carbamate;hydrochloride, propan-2-ylN-[(4-aminophenyl)methyl]carbamatehydrochloride
| Molecular Formula | C11H17ClN2O2 |
| Molecular Weight | 244.09785 g/mol |
| XLogP | 2.3252 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.09785 Da |
| Heavy Atoms | 16 |
| Complexity | 199.0 |
| SMILES | CC(C)OC(=O)NCC1=CC=C(C=C1)N.Cl |
| InChIKey | GUUAGODLSAENFI-UHFFFAOYSA-N |
The XLogP value of 2.3252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for propan-2-yl N-[(4-aminophenyl)methyl]carbamate hydrochloride. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for propan-2-yl N-[(4-aminophenyl)methyl]carbamate hydrochloride. Following Lipinski's Rule of Five, propan-2-yl N-[(4-aminophenyl)methyl]carbamate hydrochloride has 3 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 propan-2-yl N-[(4-aminophenyl)methyl]carbamate hydrochloride is 1049732-05-9.
The molecular formula of propan-2-yl N-[(4-aminophenyl)methyl]carbamate hydrochloride is C11H17ClN2O2.
The molecular weight of propan-2-yl N-[(4-aminophenyl)methyl]carbamate hydrochloride is 244.09785 g/mol.
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