N-苄基-2-氯乙胺
TL;DR: N-苄基-2-氯乙胺 (CAS 42074-16-8) is a chemical compound with molecular formula C9H12ClN and molecular weight 169.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-苄基-2-氯乙胺
N-benzyl-2-chloroethanamine
Also Known As: N-Benzyl-N-(2-chloroethyl)amine, N-benzyl-2-chloroethanamine, benzyl(2-chloroethyl)amine, N-(2-Chloroethyl)benzylamine, N-Benzyl-2-chloroethan-1-amine
| Molecular Formula | C9H12ClN |
|---|---|
| Molecular Weight | 169.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 169.06583 |
| Heavy Atoms | 11 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 42074-16-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCCCl |
| InChIKey | XTXGPBAONFJRNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-苄基-2-氯乙胺 (CAS 42074-16-8), with molecular formula C9H12ClN and molecular weight 169.07 g/mol. IUPAC: N-benzyl-2-chloroethanamine.
Chemical Property Profile of N-苄基-2-氯乙胺
Property Insights of N-苄基-2-氯乙胺
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-苄基-2-氯乙胺. With a topological polar surface area (TPSA) of 12.0 Ų, N-苄基-2-氯乙胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-苄基-2-氯乙胺 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-苄基-2-氯乙胺?
The CAS number of N-苄基-2-氯乙胺 is 42074-16-8.
What is the molecular formula of N-苄基-2-氯乙胺?
The molecular formula of N-苄基-2-氯乙胺 is C9H12ClN.
What is the molecular weight of N-苄基-2-氯乙胺?
The molecular weight of N-苄基-2-氯乙胺 is 169.07 g/mol.
Where can I buy N-苄基-2-氯乙胺?
You can request a quote for N-苄基-2-氯乙胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-苄基-2-氯乙胺?
Yes, KEHONG BIO provides custom synthesis services for N-苄基-2-氯乙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.