N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-butylaniline
TL;DR: N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-butylaniline (CAS 122062-66-2) is a chemical compound with molecular formula C17H20N4 and molecular weight 280.1688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(benzotriazol-1-ylmethyl)-4-butylaniline
Also Known As: N-(benzotriazol-1-ylmethyl)-4-butylaniline, N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-butylaniline, N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-4-butylaniline
Technical Specifications
| Molecular Formula | C17H20N4 |
| Molecular Weight | 280.1688 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 42.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 280.1688 Da |
| Heavy Atoms | 21 |
| Complexity | 301.0 |
| SMILES | CCCCC1=CC=C(C=C1)NCN2C3=CC=CC=C3N=N2 |
| InChIKey | IMXRQZKFRAIVDG-UHFFFAOYSA-N |
Chemical Property Profile of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-butylaniline
Property Insights of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-butylaniline
The XLogP value of 4.9 indicates that N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-butylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.7 Ų, N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-butylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-butylaniline 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 N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-butylaniline?
The CAS number of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-butylaniline is 122062-66-2.
What is the molecular formula of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-butylaniline?
The molecular formula of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-butylaniline is C17H20N4.
What is the molecular weight of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-butylaniline?
The molecular weight of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-butylaniline is 280.1688 g/mol.
Where can I buy N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-butylaniline?
You can request a quote for N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-butylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-butylaniline?
Yes, CoreyChem provides custom synthesis services for N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-butylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.