Carbamic acid, N-methyl-N-nitroso-, 2-chloroethyl ester
TL;DR: Carbamic acid, N-methyl-N-nitroso-, 2-chloroethyl ester (CAS 63982-14-9) is a chemical compound with molecular formula C4H7ClN2O3 and molecular weight 166.01453 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloroethyl N-methyl-N-nitrosocarbamate
Also Known As: TL 233, 2-chloroethyl N-methyl-N-nitrosocarbamate, Carbamic acid, 2-chloroethyl ester, 2-Chloroethyl methyl(nitroso)carbamate, 3-04-00-00167 (Beilstein Handbook Reference)
Technical Specifications
| Molecular Formula | C4H7ClN2O3 |
| Molecular Weight | 166.01453 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.01453 Da |
| Heavy Atoms | 10 |
| Complexity | 130.0 |
| SMILES | CN(C(=O)OCCCl)N=O |
| InChIKey | AJDIYMCQSLSEAC-UHFFFAOYSA-N |
Chemical Property Profile of Carbamic acid, N-methyl-N-nitroso-, 2-chloroethyl ester
Property Insights of Carbamic acid, N-methyl-N-nitroso-, 2-chloroethyl ester
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, N-methyl-N-nitroso-, 2-chloroethyl ester. With a topological polar surface area (TPSA) of 59.0 Ų, Carbamic acid, N-methyl-N-nitroso-, 2-chloroethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, N-methyl-N-nitroso-, 2-chloroethyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Carbamic acid, N-methyl-N-nitroso-, 2-chloroethyl ester?
The CAS number of Carbamic acid, N-methyl-N-nitroso-, 2-chloroethyl ester is 63982-14-9.
What is the molecular formula of Carbamic acid, N-methyl-N-nitroso-, 2-chloroethyl ester?
The molecular formula of Carbamic acid, N-methyl-N-nitroso-, 2-chloroethyl ester is C4H7ClN2O3.
What is the molecular weight of Carbamic acid, N-methyl-N-nitroso-, 2-chloroethyl ester?
The molecular weight of Carbamic acid, N-methyl-N-nitroso-, 2-chloroethyl ester is 166.01453 g/mol.
Where can I buy Carbamic acid, N-methyl-N-nitroso-, 2-chloroethyl ester?
You can request a quote for Carbamic acid, N-methyl-N-nitroso-, 2-chloroethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamic acid, N-methyl-N-nitroso-, 2-chloroethyl ester?
Yes, CoreyChem provides custom synthesis services for Carbamic acid, N-methyl-N-nitroso-, 2-chloroethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.