![Acetonitrile, [(2-nitrophenyl)amino]- structure](/static/products/468/4686-29-7.png)
Acetonitrile, [(2-nitrophenyl)amino]-
TL;DR: Acetonitrile, [(2-nitrophenyl)amino]- (CAS 4686-29-7) is a chemical compound with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitroanilino)acetonitrile
Also Known As: 2-(2-nitroanilino)acetonitrile, N-Cyanmethyl-o-nitroanilin, N-cyanomethyl-o-nitroaniline, {2-nitroanilino}acetonitrile, (2-Nitroanilino)acetonitrile
| Molecular Formula | C8H7N3O2 |
|---|---|
| Molecular Weight | 177.05 g/mol |
| LogP | 1.53028 |
| Topological Polar Surface Area | 78.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.05383 |
| Heavy Atoms | 13 |
| Complexity | 356.65192 |
Chemical Identifiers
| CAS Number | 4686-29-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NCC#N)[N+](=O)[O-] |
Product Overview
Acetonitrile, [(2-nitrophenyl)amino]- (CAS 4686-29-7), with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol. IUPAC: 2-(2-nitroanilino)acetonitrile.
Chemical Property Profile of Acetonitrile, [(2-nitrophenyl)amino]-
Property Insights of Acetonitrile, [(2-nitrophenyl)amino]-
The XLogP value of 1.53028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetonitrile, [(2-nitrophenyl)amino]-. The TPSA of 78.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetonitrile, [(2-nitrophenyl)amino]-. Following Lipinski's Rule of Five, Acetonitrile, [(2-nitrophenyl)amino]- has 1 hydrogen bond donor(s) and 4 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 Acetonitrile, [(2-nitrophenyl)amino]-?
The CAS number of Acetonitrile, [(2-nitrophenyl)amino]- is 4686-29-7.
What is the molecular formula of Acetonitrile, [(2-nitrophenyl)amino]-?
The molecular formula of Acetonitrile, [(2-nitrophenyl)amino]- is C8H7N3O2.
What is the molecular weight of Acetonitrile, [(2-nitrophenyl)amino]-?
The molecular weight of Acetonitrile, [(2-nitrophenyl)amino]- is 177.05 g/mol.
Where can I buy Acetonitrile, [(2-nitrophenyl)amino]-?
You can request a quote for Acetonitrile, [(2-nitrophenyl)amino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonitrile, [(2-nitrophenyl)amino]-?
Yes, KEHONG BIO provides custom synthesis services for Acetonitrile, [(2-nitrophenyl)amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.