4-Azepan-1-ylmethyl-benzylamine
TL;DR: 4-Azepan-1-ylmethyl-benzylamine (CAS 876716-67-5) is a chemical compound with molecular formula C14H22N2 and molecular weight 218.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(azepan-1-ylmethyl)phenyl]methanamine
Also Known As: 4-Azepan-1-ylmethyl-benzylamine, (4-(Azepan-1-ylmethyl)phenyl)methanamine, [4-(azepan-1-ylmethyl)phenyl]methanamine, 4-(azepan-1-ylmethyl)-benzylamine, {4-[(azepan-1-yl)methyl]phenyl}methanamine
| Molecular Formula | C14H22N2 |
|---|---|
| Molecular Weight | 218.18 g/mol |
| LogP | 2.5213 |
| Topological Polar Surface Area | 29.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.1783 |
| Heavy Atoms | 16 |
| Complexity | 297.0163 |
Chemical Identifiers
| CAS Number | 876716-67-5 |
|---|---|
| SMILES | C1CCCN(CC1)CC2=CC=C(C=C2)CN |
Product Overview
4-Azepan-1-ylmethyl-benzylamine (CAS 876716-67-5), with molecular formula C14H22N2 and molecular weight 218.18 g/mol. IUPAC: [4-(azepan-1-ylmethyl)phenyl]methanamine.
Chemical Property Profile of 4-Azepan-1-ylmethyl-benzylamine
Property Insights of 4-Azepan-1-ylmethyl-benzylamine
The XLogP value of 2.5213 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Azepan-1-ylmethyl-benzylamine. With a topological polar surface area (TPSA) of 29.26 Ų, 4-Azepan-1-ylmethyl-benzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Azepan-1-ylmethyl-benzylamine has 1 hydrogen bond donor(s) and 2 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 4-Azepan-1-ylmethyl-benzylamine?
The CAS number of 4-Azepan-1-ylmethyl-benzylamine is 876716-67-5.
What is the molecular formula of 4-Azepan-1-ylmethyl-benzylamine?
The molecular formula of 4-Azepan-1-ylmethyl-benzylamine is C14H22N2.
What is the molecular weight of 4-Azepan-1-ylmethyl-benzylamine?
The molecular weight of 4-Azepan-1-ylmethyl-benzylamine is 218.18 g/mol.
Where can I buy 4-Azepan-1-ylmethyl-benzylamine?
You can request a quote for 4-Azepan-1-ylmethyl-benzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Azepan-1-ylmethyl-benzylamine?
Yes, KEHONG BIO provides custom synthesis services for 4-Azepan-1-ylmethyl-benzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.