![1-[(Phenylamino)methyl]benzotriazole structure](/static/products/6200/62001-29-0.webp)
1-[(Phenylamino)methyl]benzotriazole
TL;DR: 1-[(Phenylamino)methyl]benzotriazole (CAS 62001-29-0) 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.
N-(benzotriazol-1-ylmethyl)aniline
Also Known As: 1-[(Phenylamino)methyl]benzotriazole, N-phenylbenzotriazolemethanamine, N-(benzotriazol-1-ylmethyl)aniline, BIDD:GT0675, N-(1H-benzotriazol-1-ylmethyl)aniline
| Molecular Formula | C13H12N4 |
|---|---|
| Molecular Weight | 224.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 42.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.1062 |
| Heavy Atoms | 17 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 62001-29-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCN2C3=CC=CC=C3N=N2 |
| InChIKey | XEZLZOGOVRJQMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-[(Phenylamino)methyl]benzotriazole (CAS 62001-29-0), with molecular formula C13H12N4 and molecular weight 224.11 g/mol. IUPAC: N-(benzotriazol-1-ylmethyl)aniline.
Chemical Property Profile of 1-[(Phenylamino)methyl]benzotriazole
Property Insights of 1-[(Phenylamino)methyl]benzotriazole
The XLogP value of 3.0 indicates that 1-[(Phenylamino)methyl]benzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.7 Ų, 1-[(Phenylamino)methyl]benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(Phenylamino)methyl]benzotriazole 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 1-[(Phenylamino)methyl]benzotriazole?
The CAS number of 1-[(Phenylamino)methyl]benzotriazole is 62001-29-0.
What is the molecular formula of 1-[(Phenylamino)methyl]benzotriazole?
The molecular formula of 1-[(Phenylamino)methyl]benzotriazole is C13H12N4.
What is the molecular weight of 1-[(Phenylamino)methyl]benzotriazole?
The molecular weight of 1-[(Phenylamino)methyl]benzotriazole is 224.11 g/mol.
Where can I buy 1-[(Phenylamino)methyl]benzotriazole?
You can request a quote for 1-[(Phenylamino)methyl]benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(Phenylamino)methyl]benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[(Phenylamino)methyl]benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.