N-benzylpyridin-3-amine
TL;DR: N-benzylpyridin-3-amine (CAS 114081-08-2) is a chemical compound with molecular formula C12H12N2 and molecular weight 184.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzylpyridin-3-amine
Also Known As: N-benzylpyridin-3-amine, Benzyl-pyridin-3-yl-amine, 3-Benzylamino-pyridine, benzylpyridin-3-ylamine, (3-Pyridyl)benzylamine
| Molecular Formula | C12H12N2 |
|---|---|
| Molecular Weight | 184.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 24.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.10005 |
| Heavy Atoms | 14 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 114081-08-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=CN=CC=C2 |
| InChIKey | SQMRJGGCCLWSQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-benzylpyridin-3-amine (CAS 114081-08-2), with molecular formula C12H12N2 and molecular weight 184.10 g/mol. IUPAC: N-benzylpyridin-3-amine.
Chemical Property Profile of N-benzylpyridin-3-amine
Property Insights of N-benzylpyridin-3-amine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzylpyridin-3-amine. With a topological polar surface area (TPSA) of 24.9 Ų, N-benzylpyridin-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzylpyridin-3-amine 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 N-benzylpyridin-3-amine?
The CAS number of N-benzylpyridin-3-amine is 114081-08-2.
What is the molecular formula of N-benzylpyridin-3-amine?
The molecular formula of N-benzylpyridin-3-amine is C12H12N2.
What is the molecular weight of N-benzylpyridin-3-amine?
The molecular weight of N-benzylpyridin-3-amine is 184.10 g/mol.
Where can I buy N-benzylpyridin-3-amine?
You can request a quote for N-benzylpyridin-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzylpyridin-3-amine?
Yes, KEHONG BIO provides custom synthesis services for N-benzylpyridin-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.