Benzenemethanamine, 3-chloro-N-pentyl-
TL;DR: Benzenemethanamine, 3-chloro-N-pentyl- (CAS 90389-50-7) is a chemical compound with molecular formula C12H18ClN and molecular weight 211.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chlorophenyl)methyl]pentan-1-amine
Also Known As: Benzylamine der, Benzenemethanamine, 3-chloro-N-pentyl-, N-[(3-chlorophenyl)methyl]pentan-1-amine, Pentyl(3-chlorobenzyl)amine, [(3-CHLOROPHENYL)METHYL](PENTYL)AMINE
| Molecular Formula | C12H18ClN |
|---|---|
| Molecular Weight | 211.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 211.11278 |
| Heavy Atoms | 14 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 90389-50-7 |
|---|---|
| SMILES | CCCCCNCC1=CC(=CC=C1)Cl |
| InChIKey | QMXXEPWURVQBKU-UHFFFAOYSA-N |
Product Overview
Benzenemethanamine, 3-chloro-N-pentyl- (CAS 90389-50-7), with molecular formula C12H18ClN and molecular weight 211.11 g/mol. IUPAC: N-[(3-chlorophenyl)methyl]pentan-1-amine.
Chemical Property Profile of Benzenemethanamine, 3-chloro-N-pentyl-
Property Insights of Benzenemethanamine, 3-chloro-N-pentyl-
The XLogP value of 4.0 indicates that Benzenemethanamine, 3-chloro-N-pentyl- 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, 3-chloro-N-pentyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanamine, 3-chloro-N-pentyl- 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, 3-chloro-N-pentyl-?
The CAS number of Benzenemethanamine, 3-chloro-N-pentyl- is 90389-50-7.
What is the molecular formula of Benzenemethanamine, 3-chloro-N-pentyl-?
The molecular formula of Benzenemethanamine, 3-chloro-N-pentyl- is C12H18ClN.
What is the molecular weight of Benzenemethanamine, 3-chloro-N-pentyl-?
The molecular weight of Benzenemethanamine, 3-chloro-N-pentyl- is 211.11 g/mol.
Where can I buy Benzenemethanamine, 3-chloro-N-pentyl-?
You can request a quote for Benzenemethanamine, 3-chloro-N-pentyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanamine, 3-chloro-N-pentyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, 3-chloro-N-pentyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.