3-Benzylaniline
TL;DR: 3-Benzylaniline (CAS 6955-30-2) is a chemical compound with molecular formula C13H13N and molecular weight 183.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylaniline
Also Known As: 3-benzylaniline, 3-benzyl aniline, 3-benzylphenylamine, benzenamine, 3-(phenylmethyl)-, 3-Benzylaniline hydrochloride
| Molecular Formula | C13H13N |
|---|---|
| Molecular Weight | 183.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.1048 |
| Heavy Atoms | 14 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 6955-30-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC(=CC=C2)N |
| InChIKey | GZYMMTQDXHJALZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Benzylaniline (CAS 6955-30-2), with molecular formula C13H13N and molecular weight 183.10 g/mol. IUPAC: 3-benzylaniline.
Chemical Property Profile of 3-Benzylaniline
Property Insights of 3-Benzylaniline
The XLogP value of 3.0 indicates that 3-Benzylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Benzylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzylaniline 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 3-Benzylaniline?
The CAS number of 3-Benzylaniline is 6955-30-2.
What is the molecular formula of 3-Benzylaniline?
The molecular formula of 3-Benzylaniline is C13H13N.
What is the molecular weight of 3-Benzylaniline?
The molecular weight of 3-Benzylaniline is 183.10 g/mol.
Where can I buy 3-Benzylaniline?
You can request a quote for 3-Benzylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzylaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.