N-(benzotriazol-1-ylmethyl)-3-methylaniline
TL;DR: N-(benzotriazol-1-ylmethyl)-3-methylaniline (CAS 62001-36-9) is a chemical compound with molecular formula C14H14N4 and molecular weight 238.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzotriazol-1-ylmethyl)-3-methylaniline
Also Known As: Benzotriazol-1-ylmethyl-m-tolyl-amine, N-(benzotriazol-1-ylmethyl)-3-methylaniline, N-(1H-benzotriazol-1-ylmethyl)-3-methylaniline, BAS 00263157, (benzotriazolylmethyl)(3-methylphenyl)amine
| Molecular Formula | C14H14N4 |
|---|---|
| Molecular Weight | 238.12 g/mol |
| LogP | 2.80932 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.12184 |
| Heavy Atoms | 18 |
| Complexity | 672.12054 |
Chemical Identifiers
| CAS Number | 62001-36-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NCN2C3=CC=CC=C3N=N2 |
Product Overview
N-(benzotriazol-1-ylmethyl)-3-methylaniline (CAS 62001-36-9), with molecular formula C14H14N4 and molecular weight 238.12 g/mol. IUPAC: N-(benzotriazol-1-ylmethyl)-3-methylaniline.
Chemical Property Profile of N-(benzotriazol-1-ylmethyl)-3-methylaniline
Property Insights of N-(benzotriazol-1-ylmethyl)-3-methylaniline
The XLogP value of 2.80932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(benzotriazol-1-ylmethyl)-3-methylaniline. With a topological polar surface area (TPSA) of 42.74 Ų, N-(benzotriazol-1-ylmethyl)-3-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(benzotriazol-1-ylmethyl)-3-methylaniline has 1 hydrogen bond donor(s) and 3 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-(benzotriazol-1-ylmethyl)-3-methylaniline?
The CAS number of N-(benzotriazol-1-ylmethyl)-3-methylaniline is 62001-36-9.
What is the molecular formula of N-(benzotriazol-1-ylmethyl)-3-methylaniline?
The molecular formula of N-(benzotriazol-1-ylmethyl)-3-methylaniline is C14H14N4.
What is the molecular weight of N-(benzotriazol-1-ylmethyl)-3-methylaniline?
The molecular weight of N-(benzotriazol-1-ylmethyl)-3-methylaniline is 238.12 g/mol.
Where can I buy N-(benzotriazol-1-ylmethyl)-3-methylaniline?
You can request a quote for N-(benzotriazol-1-ylmethyl)-3-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(benzotriazol-1-ylmethyl)-3-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(benzotriazol-1-ylmethyl)-3-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.