1-Propylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride
TL;DR: 1-Propylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride (CAS 78218-47-0) is a chemical compound with molecular formula C5H12Cl3N and molecular weight 191.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(2-chloroethyl)propan-1-amine;hydrochloride
Also Known As: (2-chloroethyl)(3-chloropropyl)amine hydrochloride, Ifosfamide Impurity 2, 3-Chloro-N-(2-chloroethyl)-1-propanamine hydrochloride, 3-chloro-N-(2-chloroethyl)propan-1-amine hydrochloride, Ifosfamide EP Impurity E (HCl Salt)
| Molecular Formula | C5H12Cl3N |
|---|---|
| Molecular Weight | 191.00 g/mol |
| LogP | 1.8655 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 191.00352 |
| Heavy Atoms | 9 |
| Complexity | 37.184345 |
Chemical Identifiers
| CAS Number | 78218-47-0 |
|---|---|
| SMILES | C(CNCCCl)CCl.Cl |
Product Overview
1-Propylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride (CAS 78218-47-0), with molecular formula C5H12Cl3N and molecular weight 191.00 g/mol. IUPAC: 3-chloro-N-(2-chloroethyl)propan-1-amine;hydrochloride.
Chemical Property Profile of 1-Propylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride
Property Insights of 1-Propylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride
The XLogP value of 1.8655 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride. With a topological polar surface area (TPSA) of 12.03 Ų, 1-Propylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propylamine, 3-chloro-N-(2-chloroethyl)-, 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 1-Propylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride?
The CAS number of 1-Propylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride is 78218-47-0.
What is the molecular formula of 1-Propylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride?
The molecular formula of 1-Propylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride is C5H12Cl3N.
What is the molecular weight of 1-Propylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride?
The molecular weight of 1-Propylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride is 191.00 g/mol.
Where can I buy 1-Propylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride?
You can request a quote for 1-Propylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Propylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.