Benzenemethanamine, N-butyl-2-chloro-
TL;DR: Benzenemethanamine, N-butyl-2-chloro- (CAS 16239-03-5) 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-[(2-chlorophenyl)methyl]butan-1-amine
Also Known As: N-(2-chlorobenzyl)butan-1-amine, Benzylamine der, butyl[(2-chlorophenyl)methyl]amine, Benzenemethanamine, N-butyl-2-chloro-, N-[(2-chlorophenyl)methyl]butan-1-amine
| Molecular Formula | C11H16ClN |
|---|---|
| Molecular Weight | 197.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 197.09712 |
| Heavy Atoms | 13 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 16239-03-5 |
|---|---|
| SMILES | CCCCNCC1=CC=CC=C1Cl |
| InChIKey | PUEUFOKKVOOXEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenemethanamine, N-butyl-2-chloro- (CAS 16239-03-5), with molecular formula C11H16ClN and molecular weight 197.10 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]butan-1-amine.
Chemical Property Profile of Benzenemethanamine, N-butyl-2-chloro-
Property Insights of Benzenemethanamine, N-butyl-2-chloro-
The XLogP value of 3.2 indicates that Benzenemethanamine, N-butyl-2-chloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, Benzenemethanamine, N-butyl-2-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanamine, N-butyl-2-chloro- 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 Benzenemethanamine, N-butyl-2-chloro-?
The CAS number of Benzenemethanamine, N-butyl-2-chloro- is 16239-03-5.
What is the molecular formula of Benzenemethanamine, N-butyl-2-chloro-?
The molecular formula of Benzenemethanamine, N-butyl-2-chloro- is C11H16ClN.
What is the molecular weight of Benzenemethanamine, N-butyl-2-chloro-?
The molecular weight of Benzenemethanamine, N-butyl-2-chloro- is 197.10 g/mol.
Where can I buy Benzenemethanamine, N-butyl-2-chloro-?
You can request a quote for Benzenemethanamine, N-butyl-2-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanamine, N-butyl-2-chloro-?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, N-butyl-2-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.