3-(Azepan-1-ylmethyl)aniline
TL;DR: 3-(Azepan-1-ylmethyl)aniline (CAS 1193387-16-4) is a chemical compound with molecular formula C13H20N2 and molecular weight 204.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-ylmethyl)aniline
Also Known As: 3-(azepan-1-ylmethyl)aniline, 3-Azepan-1-ylmethyl-phenylamine, BAS 10150494, 3-[(azepan-1-yl)methyl]aniline dihydrochloride
| Molecular Formula | C13H20N2 |
|---|---|
| Molecular Weight | 204.16 g/mol |
| LogP | 2.6448 |
| Topological Polar Surface Area | 29.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.16264 |
| Heavy Atoms | 15 |
| Complexity | 301.15918 |
Chemical Identifiers
| CAS Number | 1193387-16-4 |
|---|---|
| SMILES | C1CCCN(CC1)CC2=CC(=CC=C2)N |
Product Overview
3-(Azepan-1-ylmethyl)aniline (CAS 1193387-16-4), with molecular formula C13H20N2 and molecular weight 204.16 g/mol. IUPAC: 3-(azepan-1-ylmethyl)aniline.
Chemical Property Profile of 3-(Azepan-1-ylmethyl)aniline
Property Insights of 3-(Azepan-1-ylmethyl)aniline
The XLogP value of 2.6448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Azepan-1-ylmethyl)aniline. With a topological polar surface area (TPSA) of 29.26 Ų, 3-(Azepan-1-ylmethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Azepan-1-ylmethyl)aniline 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 3-(Azepan-1-ylmethyl)aniline?
The CAS number of 3-(Azepan-1-ylmethyl)aniline is 1193387-16-4.
What is the molecular formula of 3-(Azepan-1-ylmethyl)aniline?
The molecular formula of 3-(Azepan-1-ylmethyl)aniline is C13H20N2.
What is the molecular weight of 3-(Azepan-1-ylmethyl)aniline?
The molecular weight of 3-(Azepan-1-ylmethyl)aniline is 204.16 g/mol.
Where can I buy 3-(Azepan-1-ylmethyl)aniline?
You can request a quote for 3-(Azepan-1-ylmethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Azepan-1-ylmethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(Azepan-1-ylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.