2-(N,N-dimethylaminomethyl)-1,2,3-benzotriazole
TL;DR: 2-(N,N-dimethylaminomethyl)-1,2,3-benzotriazole (CAS 99482-30-1) is a chemical compound with molecular formula C9H12N4 and molecular weight 176.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzotriazol-2-yl)-N,N-dimethylmethanamine
Also Known As: 1-benzotriazol-2-yl-N,N-dimethyl-methanamine, 2-(N,N-Dimethylaminomethyl)-2H-benzotriazole, 1-(benzotriazol-2-yl)-N,N-dimethylmethanamine, 2-(N,N-dimethylaminomethyl)-1,2,3-benzotriazole, [(2H-1,2,3-benzotriazol-2-yl)methyl]dimethylamine
| Molecular Formula | C9H12N4 |
|---|---|
| Molecular Weight | 176.11 g/mol |
| LogP | 0.9504 |
| Topological Polar Surface Area | 33.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.1062 |
| Heavy Atoms | 13 |
| Complexity | 371.66183 |
Chemical Identifiers
| CAS Number | 99482-30-1 |
|---|---|
| SMILES | CN(C)CN1N=C2C=CC=CC2=N1 |
Product Overview
2-(N,N-dimethylaminomethyl)-1,2,3-benzotriazole (CAS 99482-30-1), with molecular formula C9H12N4 and molecular weight 176.11 g/mol. IUPAC: 1-(benzotriazol-2-yl)-N,N-dimethylmethanamine.
Chemical Property Profile of 2-(N,N-dimethylaminomethyl)-1,2,3-benzotriazole
Property Insights of 2-(N,N-dimethylaminomethyl)-1,2,3-benzotriazole
The XLogP value of 0.9504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(N,N-dimethylaminomethyl)-1,2,3-benzotriazole. With a topological polar surface area (TPSA) of 33.95 Ų, 2-(N,N-dimethylaminomethyl)-1,2,3-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(N,N-dimethylaminomethyl)-1,2,3-benzotriazole has 0 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 2-(N,N-dimethylaminomethyl)-1,2,3-benzotriazole?
The CAS number of 2-(N,N-dimethylaminomethyl)-1,2,3-benzotriazole is 99482-30-1.
What is the molecular formula of 2-(N,N-dimethylaminomethyl)-1,2,3-benzotriazole?
The molecular formula of 2-(N,N-dimethylaminomethyl)-1,2,3-benzotriazole is C9H12N4.
What is the molecular weight of 2-(N,N-dimethylaminomethyl)-1,2,3-benzotriazole?
The molecular weight of 2-(N,N-dimethylaminomethyl)-1,2,3-benzotriazole is 176.11 g/mol.
Where can I buy 2-(N,N-dimethylaminomethyl)-1,2,3-benzotriazole?
You can request a quote for 2-(N,N-dimethylaminomethyl)-1,2,3-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(N,N-dimethylaminomethyl)-1,2,3-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(N,N-dimethylaminomethyl)-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.