N-Benzyl-N-(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1)
TL;DR: N-Benzyl-N-(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1) (CAS 67195-45-3) is a chemical compound with molecular formula C17H21Cl2N and molecular weight 309.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-(2-chloroethyl)-(1-phenylethyl)azanium chloride
Also Known As: N-(2-Chloroethyl)-alpha-methyldibenzylamine hydrochloride, DIBENZYLAMINE, N-(2-CHLOROETHYL)-alpha-METHYL-, HYDROCHLORIDE, benzyl-(2-chloroethyl)-(1-phenylethyl)azanium chloride, N-Benzyl-N-(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1), Benzenemethanamine, N-(2-chloroethyl)-.alpha.-methyl-N-(phenylmethyl)-, hydrochloride
| Molecular Formula | C17H21Cl2N |
|---|---|
| Molecular Weight | 309.11 g/mol |
| LogP | 0.08 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.1051 |
| Heavy Atoms | 20 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 67195-45-3 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)[NH+](CCCl)CC2=CC=CC=C2.[Cl-] |
| InChIKey | OFPYTOKJXXOHNO-UHFFFAOYSA-N |
Product Overview
N-Benzyl-N-(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1) (CAS 67195-45-3), with molecular formula C17H21Cl2N and molecular weight 309.11 g/mol. IUPAC: benzyl-(2-chloroethyl)-(1-phenylethyl)azanium chloride.
Chemical Property Profile of N-Benzyl-N-(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1)
Property Insights of N-Benzyl-N-(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1)
The XLogP value of 0.08 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzyl-N-(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 4.4 Ų, N-Benzyl-N-(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Benzyl-N-(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1) 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-Benzyl-N-(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1)?
The CAS number of N-Benzyl-N-(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1) is 67195-45-3.
What is the molecular formula of N-Benzyl-N-(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1)?
The molecular formula of N-Benzyl-N-(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1) is C17H21Cl2N.
What is the molecular weight of N-Benzyl-N-(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1)?
The molecular weight of N-Benzyl-N-(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1) is 309.11 g/mol.
Where can I buy N-Benzyl-N-(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1)?
You can request a quote for N-Benzyl-N-(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyl-N-(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyl-N-(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.