N-Nicotinylbenzylamine
TL;DR: N-Nicotinylbenzylamine (CAS 1700-29-4) is a chemical compound with molecular formula C13H14N2 and molecular weight 198.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-N-(pyridin-3-ylmethyl)methanamine
Also Known As: N-Nicotinylbenzylamine, Benzyl-pyridin-3-ylmethyl-amine, N-Benzyl-1-(pyridin-3-yl)methanamine, N-Benzyl-3-pyridinemethylamine, Benzylpyridin-3-ylmethylamine
| Molecular Formula | C13H14N2 |
|---|---|
| Molecular Weight | 198.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 24.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.11569 |
| Heavy Atoms | 15 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 1700-29-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCC2=CN=CC=C2 |
| InChIKey | COHYOBKZKMKMIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Nicotinylbenzylamine (CAS 1700-29-4), with molecular formula C13H14N2 and molecular weight 198.12 g/mol. IUPAC: 1-phenyl-N-(pyridin-3-ylmethyl)methanamine.
Chemical Property Profile of N-Nicotinylbenzylamine
Property Insights of N-Nicotinylbenzylamine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nicotinylbenzylamine. With a topological polar surface area (TPSA) of 24.9 Ų, N-Nicotinylbenzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Nicotinylbenzylamine 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-Nicotinylbenzylamine?
The CAS number of N-Nicotinylbenzylamine is 1700-29-4.
What is the molecular formula of N-Nicotinylbenzylamine?
The molecular formula of N-Nicotinylbenzylamine is C13H14N2.
What is the molecular weight of N-Nicotinylbenzylamine?
The molecular weight of N-Nicotinylbenzylamine is 198.12 g/mol.
Where can I buy N-Nicotinylbenzylamine?
You can request a quote for N-Nicotinylbenzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Nicotinylbenzylamine?
Yes, KEHONG BIO provides custom synthesis services for N-Nicotinylbenzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.