Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isopropyl ester
TL;DR: Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isopropyl ester (CAS 58050-44-5) is a chemical compound with molecular formula C9H18Cl2N2O2 and molecular weight 256.07452 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl N-[bis(2-chloroethyl)aminomethyl]carbamate
Also Known As: Isopropyl N-bis(2-chloroethyl)aminomethylcarbamate, N-[Bis aminomethyl]carbamicacidisopropylester, N-(Bis-(2-chloraethyl)aminomethyl)isopropylurethan, CARBAMIC ACID, N-BIS(2-CHLOROETHYL)AMINOMETHYL-, ISOPROPYL ESTER, N-(Bis-(2-chloraethyl)aminomethyl)isopropylurethan [German]
Technical Specifications
| Molecular Formula | C9H18Cl2N2O2 |
| Molecular Weight | 256.07452 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 256.07452 Da |
| Heavy Atoms | 15 |
| Complexity | 173.0 |
| SMILES | CC(C)OC(=O)NCN(CCCl)CCCl |
| InChIKey | BNLIIOZJVMRXSL-UHFFFAOYSA-N |
Chemical Property Profile of Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isopropyl ester
Property Insights of Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isopropyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isopropyl ester. With a topological polar surface area (TPSA) of 41.6 Ų, Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isopropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isopropyl ester has 1 hydrogen bond donor(s) and 3 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-bis(2-chloroethyl)aminomethyl-, isopropyl ester?
The CAS number of Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isopropyl ester is 58050-44-5.
What is the molecular formula of Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isopropyl ester?
The molecular formula of Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isopropyl ester is C9H18Cl2N2O2.
What is the molecular weight of Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isopropyl ester?
The molecular weight of Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isopropyl ester is 256.07452 g/mol.
Where can I buy Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isopropyl ester?
You can request a quote for Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isopropyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isopropyl ester?
Yes, CoreyChem provides custom synthesis services for Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.