![4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)aniline structure](/static/products/1290/129075-89-4.webp)
4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)aniline
TL;DR: 4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)aniline (CAS 129075-89-4) is a chemical compound with molecular formula C13H12N4 and molecular weight 224.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzotriazol-1-ylmethyl)aniline
Also Known As: 4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)aniline, 4-(benzotriazol-1-ylmethyl)aniline, 4-(1H-1,2,3-benzotriazol-1-ylmethyl)phenylamine, benzotriazolylmethylphenylamine, 4-(benzotriazolylmethyl)phenylamine
| Molecular Formula | C13H12N4 |
|---|---|
| Molecular Weight | 224.11 g/mol |
| LogP | 2.0618 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.1062 |
| Heavy Atoms | 17 |
| Complexity | 639.8332 |
Chemical Identifiers
| CAS Number | 129075-89-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)N |
Product Overview
4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)aniline (CAS 129075-89-4), with molecular formula C13H12N4 and molecular weight 224.11 g/mol. IUPAC: 4-(benzotriazol-1-ylmethyl)aniline.
Chemical Property Profile of 4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)aniline
Property Insights of 4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)aniline
The XLogP value of 2.0618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)aniline. With a topological polar surface area (TPSA) of 56.73 Ų, 4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)aniline 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 4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)aniline?
The CAS number of 4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)aniline is 129075-89-4.
What is the molecular formula of 4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)aniline?
The molecular formula of 4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)aniline is C13H12N4.
What is the molecular weight of 4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)aniline?
The molecular weight of 4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)aniline is 224.11 g/mol.
Where can I buy 4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)aniline?
You can request a quote for 4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.