N,N-dimethyl-2-(1-methyl-4-nitrobenzotriazol-5-yl)ethenamine
TL;DR: N,N-dimethyl-2-(1-methyl-4-nitrobenzotriazol-5-yl)ethenamine (CAS 685108-24-1) is a chemical compound with molecular formula C11H13N5O2 and molecular weight 247.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-(1-methyl-4-nitrobenzotriazol-5-yl)ethenamine
Also Known As: N,N-dimethyl-2-(1-methyl-4-nitro-benzotriazol-5-yl)ethenamine, N,N-dimethyl-2-(1-methyl-4-nitrobenzotriazol-5-yl)ethenamine, (E)-N,N-dimethyl-2-(1-methyl-4-nitro-1H-1,2,3-benzotriazol-5-yl)-1-ethenamine
| Molecular Formula | C11H13N5O2 |
|---|---|
| Molecular Weight | 247.11 g/mol |
| LogP | 1.4088 |
| Topological Polar Surface Area | 77.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.10692 |
| Heavy Atoms | 18 |
| Complexity | 629.64044 |
Chemical Identifiers
| CAS Number | 685108-24-1 |
|---|---|
| SMILES | CN1C2=C(C(=C(C=C2)C=CN(C)C)[N+](=O)[O-])N=N1 |
Product Overview
N,N-dimethyl-2-(1-methyl-4-nitrobenzotriazol-5-yl)ethenamine (CAS 685108-24-1), with molecular formula C11H13N5O2 and molecular weight 247.11 g/mol. IUPAC: N,N-dimethyl-2-(1-methyl-4-nitrobenzotriazol-5-yl)ethenamine.
Chemical Property Profile of N,N-dimethyl-2-(1-methyl-4-nitrobenzotriazol-5-yl)ethenamine
Property Insights of N,N-dimethyl-2-(1-methyl-4-nitrobenzotriazol-5-yl)ethenamine
The XLogP value of 1.4088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-dimethyl-2-(1-methyl-4-nitrobenzotriazol-5-yl)ethenamine. The TPSA of 77.09 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-dimethyl-2-(1-methyl-4-nitrobenzotriazol-5-yl)ethenamine. Following Lipinski's Rule of Five, N,N-dimethyl-2-(1-methyl-4-nitrobenzotriazol-5-yl)ethenamine has 0 hydrogen bond donor(s) and 5 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 N,N-dimethyl-2-(1-methyl-4-nitrobenzotriazol-5-yl)ethenamine?
The CAS number of N,N-dimethyl-2-(1-methyl-4-nitrobenzotriazol-5-yl)ethenamine is 685108-24-1.
What is the molecular formula of N,N-dimethyl-2-(1-methyl-4-nitrobenzotriazol-5-yl)ethenamine?
The molecular formula of N,N-dimethyl-2-(1-methyl-4-nitrobenzotriazol-5-yl)ethenamine is C11H13N5O2.
What is the molecular weight of N,N-dimethyl-2-(1-methyl-4-nitrobenzotriazol-5-yl)ethenamine?
The molecular weight of N,N-dimethyl-2-(1-methyl-4-nitrobenzotriazol-5-yl)ethenamine is 247.11 g/mol.
Where can I buy N,N-dimethyl-2-(1-methyl-4-nitrobenzotriazol-5-yl)ethenamine?
You can request a quote for N,N-dimethyl-2-(1-methyl-4-nitrobenzotriazol-5-yl)ethenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-dimethyl-2-(1-methyl-4-nitrobenzotriazol-5-yl)ethenamine?
Yes, KEHONG BIO provides custom synthesis services for N,N-dimethyl-2-(1-methyl-4-nitrobenzotriazol-5-yl)ethenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.