4-(1H-1,2,3-Benzotriazol-1-ylmethyl)-N-methylaniline
TL;DR: 4-(1H-1,2,3-Benzotriazol-1-ylmethyl)-N-methylaniline (CAS 153729-53-4) is a chemical compound with molecular formula C14H14N4 and molecular weight 238.12184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(benzotriazol-1-ylmethyl)-N-methylaniline
Also Known As: starbld0042033, 4-(1H-1,2,3-Benzotriazol-1-ylmethyl)-N-methylaniline, 4-(benzotriazol-1-ylmethyl)-N-methylaniline, 4-(benzotriazol-1-ylmethyl)-N-methyl-aniline, 4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-N-methylaniline
Technical Specifications
| Molecular Formula | C14H14N4 |
| Molecular Weight | 238.12184 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 42.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.12184 Da |
| Heavy Atoms | 18 |
| Complexity | 263.0 |
| SMILES | CNC1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2 |
| InChIKey | YUNUZWSOSBYISE-UHFFFAOYSA-N |
Chemical Property Profile of 4-(1H-1,2,3-Benzotriazol-1-ylmethyl)-N-methylaniline
Property Insights of 4-(1H-1,2,3-Benzotriazol-1-ylmethyl)-N-methylaniline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1H-1,2,3-Benzotriazol-1-ylmethyl)-N-methylaniline. With a topological polar surface area (TPSA) of 42.7 Ų, 4-(1H-1,2,3-Benzotriazol-1-ylmethyl)-N-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1H-1,2,3-Benzotriazol-1-ylmethyl)-N-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
What is the CAS number of 4-(1H-1,2,3-Benzotriazol-1-ylmethyl)-N-methylaniline?
The CAS number of 4-(1H-1,2,3-Benzotriazol-1-ylmethyl)-N-methylaniline is 153729-53-4.
What is the molecular formula of 4-(1H-1,2,3-Benzotriazol-1-ylmethyl)-N-methylaniline?
The molecular formula of 4-(1H-1,2,3-Benzotriazol-1-ylmethyl)-N-methylaniline is C14H14N4.
What is the molecular weight of 4-(1H-1,2,3-Benzotriazol-1-ylmethyl)-N-methylaniline?
The molecular weight of 4-(1H-1,2,3-Benzotriazol-1-ylmethyl)-N-methylaniline is 238.12184 g/mol.
Where can I buy 4-(1H-1,2,3-Benzotriazol-1-ylmethyl)-N-methylaniline?
You can request a quote for 4-(1H-1,2,3-Benzotriazol-1-ylmethyl)-N-methylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(1H-1,2,3-Benzotriazol-1-ylmethyl)-N-methylaniline?
Yes, CoreyChem provides custom synthesis services for 4-(1H-1,2,3-Benzotriazol-1-ylmethyl)-N-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.