N,N-Bis(2-chloroethyl)propan-1-amine hydrochloride
TL;DR: N,N-Bis(2-chloroethyl)propan-1-amine hydrochloride (CAS 4916-58-9) is a chemical compound with molecular formula C7H16Cl3N and molecular weight 219.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)propan-1-amine;hydrochloride
Also Known As: N,N-bis(2-chloroethyl)propan-1-amine hydrochloride, N-Propyl-N,N-bis(2-chloroethyl)amine hydrochloride, Propylbis(beta-chloroethyl)amine hydrochloride, N,N-Bis(2-chloroethyl)propan-1-aminehydrochloride, Propylamine, N,N-bis(2-chloroethyl)-, hydrochloride
| Molecular Formula | C7H16Cl3N |
|---|---|
| Molecular Weight | 219.03 g/mol |
| LogP | 2.5978 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 219.03484 |
| Heavy Atoms | 11 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 4916-58-9 |
|---|---|
| SMILES | CCCN(CCCl)CCCl.Cl |
| InChIKey | TYWZIXNFEXKBQV-UHFFFAOYSA-N |
Product Overview
N,N-Bis(2-chloroethyl)propan-1-amine hydrochloride (CAS 4916-58-9), with molecular formula C7H16Cl3N and molecular weight 219.03 g/mol. IUPAC: N,N-bis(2-chloroethyl)propan-1-amine;hydrochloride.
Chemical Property Profile of N,N-Bis(2-chloroethyl)propan-1-amine hydrochloride
Property Insights of N,N-Bis(2-chloroethyl)propan-1-amine hydrochloride
The XLogP value of 2.5978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Bis(2-chloroethyl)propan-1-amine hydrochloride. With a topological polar surface area (TPSA) of 3.2 Ų, N,N-Bis(2-chloroethyl)propan-1-amine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Bis(2-chloroethyl)propan-1-amine hydrochloride has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N-Bis(2-chloroethyl)propan-1-amine hydrochloride?
The CAS number of N,N-Bis(2-chloroethyl)propan-1-amine hydrochloride is 4916-58-9.
What is the molecular formula of N,N-Bis(2-chloroethyl)propan-1-amine hydrochloride?
The molecular formula of N,N-Bis(2-chloroethyl)propan-1-amine hydrochloride is C7H16Cl3N.
What is the molecular weight of N,N-Bis(2-chloroethyl)propan-1-amine hydrochloride?
The molecular weight of N,N-Bis(2-chloroethyl)propan-1-amine hydrochloride is 219.03 g/mol.
Where can I buy N,N-Bis(2-chloroethyl)propan-1-amine hydrochloride?
You can request a quote for N,N-Bis(2-chloroethyl)propan-1-amine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Bis(2-chloroethyl)propan-1-amine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N,N-Bis(2-chloroethyl)propan-1-amine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.