Benzylamine, N-(2-chloroethyl)-N-heptyl-, hydrochloride
TL;DR: Benzylamine, N-(2-chloroethyl)-N-heptyl-, hydrochloride (CAS 66903-13-7) is a chemical compound with molecular formula C16H27Cl2N and molecular weight 303.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-(2-chloroethyl)-heptylazanium chloride
Also Known As: N-(2-Chloroethyl)-N-heptylbenzylamine hydrochloride, BENZYLAMINE, N-(2-CHLOROETHYL)-N-HEPTYL-, HYDROCHLORIDE, benzyl-(2-chloroethyl)-heptylazanium chloride, Benzenemethanamine, N-(2-chloroethyl)-N-heptyl-, hydrochloride, RefChem:1079510
| Molecular Formula | C16H27Cl2N |
|---|---|
| Molecular Weight | 303.15 g/mol |
| LogP | 0.28 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 10 |
| Exact Mass | 303.15207 |
| Heavy Atoms | 19 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 66903-13-7 |
|---|---|
| SMILES | CCCCCCC[NH+](CCCl)CC1=CC=CC=C1.[Cl-] |
| InChIKey | HXXSIJICDWWXMF-UHFFFAOYSA-N |
Product Overview
Benzylamine, N-(2-chloroethyl)-N-heptyl-, hydrochloride (CAS 66903-13-7), with molecular formula C16H27Cl2N and molecular weight 303.15 g/mol. IUPAC: benzyl-(2-chloroethyl)-heptylazanium chloride.
Chemical Property Profile of Benzylamine, N-(2-chloroethyl)-N-heptyl-, hydrochloride
Property Insights of Benzylamine, N-(2-chloroethyl)-N-heptyl-, hydrochloride
The XLogP value of 0.28 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylamine, N-(2-chloroethyl)-N-heptyl-, hydrochloride. With a topological polar surface area (TPSA) of 4.4 Ų, Benzylamine, N-(2-chloroethyl)-N-heptyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, N-(2-chloroethyl)-N-heptyl-, 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 Benzylamine, N-(2-chloroethyl)-N-heptyl-, hydrochloride?
The CAS number of Benzylamine, N-(2-chloroethyl)-N-heptyl-, hydrochloride is 66903-13-7.
What is the molecular formula of Benzylamine, N-(2-chloroethyl)-N-heptyl-, hydrochloride?
The molecular formula of Benzylamine, N-(2-chloroethyl)-N-heptyl-, hydrochloride is C16H27Cl2N.
What is the molecular weight of Benzylamine, N-(2-chloroethyl)-N-heptyl-, hydrochloride?
The molecular weight of Benzylamine, N-(2-chloroethyl)-N-heptyl-, hydrochloride is 303.15 g/mol.
Where can I buy Benzylamine, N-(2-chloroethyl)-N-heptyl-, hydrochloride?
You can request a quote for Benzylamine, N-(2-chloroethyl)-N-heptyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylamine, N-(2-chloroethyl)-N-heptyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, N-(2-chloroethyl)-N-heptyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.