N-苄基-3-氯-N-甲基丙胺
TL;DR: N-苄基-3-氯-N-甲基丙胺 (CAS 3161-52-2) is a chemical compound with molecular formula C11H16ClN and molecular weight 197.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-苄基-3-氯-N-甲基丙胺
N-benzyl-3-chloro-N-methylpropan-1-amine
Also Known As: N-benzyl-3-chloro-N-methylpropan-1-amine, BENZYL(3-CHLOROPROPYL)METHYLAMINE, 3-Chloropropyl-N-benzylmethylamine, Benzenemethanamine, N-(3-chloropropyl)-N-methyl-, N-benzyl-3-chloro-N-methylpropylamine
| Molecular Formula | C11H16ClN |
|---|---|
| Molecular Weight | 197.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 197.09712 |
| Heavy Atoms | 13 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 3161-52-2 |
|---|---|
| SMILES | CN(CCCCl)CC1=CC=CC=C1 |
| InChIKey | XOVAMNMHLZQZJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-苄基-3-氯-N-甲基丙胺 (CAS 3161-52-2), with molecular formula C11H16ClN and molecular weight 197.10 g/mol. IUPAC: N-benzyl-3-chloro-N-methylpropan-1-amine.
Chemical Property Profile of N-苄基-3-氯-N-甲基丙胺
Property Insights of N-苄基-3-氯-N-甲基丙胺
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-苄基-3-氯-N-甲基丙胺. With a topological polar surface area (TPSA) of 3.2 Ų, N-苄基-3-氯-N-甲基丙胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-苄基-3-氯-N-甲基丙胺 has 0 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-3-氯-N-甲基丙胺?
The CAS number of N-苄基-3-氯-N-甲基丙胺 is 3161-52-2.
What is the molecular formula of N-苄基-3-氯-N-甲基丙胺?
The molecular formula of N-苄基-3-氯-N-甲基丙胺 is C11H16ClN.
What is the molecular weight of N-苄基-3-氯-N-甲基丙胺?
The molecular weight of N-苄基-3-氯-N-甲基丙胺 is 197.10 g/mol.
Where can I buy N-苄基-3-氯-N-甲基丙胺?
You can request a quote for N-苄基-3-氯-N-甲基丙胺 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-3-氯-N-甲基丙胺?
Yes, KEHONG BIO provides custom synthesis services for N-苄基-3-氯-N-甲基丙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.