4-(Isopropylamino)-3-nitrobenzonitrile
TL;DR: 4-(Isopropylamino)-3-nitrobenzonitrile (CAS 355022-17-2) is a chemical compound with molecular formula C10H11N3O2 and molecular weight 205.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-(propan-2-ylamino)benzonitrile
Also Known As: 4-(isopropylamino)-3-nitrobenzonitrile, 3-nitro-4-(propan-2-ylamino)benzonitrile, 4- -3-NITROBENZONITRILE, 4-Isopropylamino-3-nitrobenzonitrile, 3-nitro-4-[(propan-2-yl)amino]benzonitrile
| Molecular Formula | C10H11N3O2 |
|---|---|
| Molecular Weight | 205.09 g/mol |
| LogP | 2.28678 |
| Topological Polar Surface Area | 78.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.08513 |
| Heavy Atoms | 15 |
| Complexity | 421.16595 |
Chemical Identifiers
| CAS Number | 355022-17-2 |
|---|---|
| SMILES | CC(C)NC1=C(C=C(C=C1)C#N)[N+](=O)[O-] |
Product Overview
4-(Isopropylamino)-3-nitrobenzonitrile (CAS 355022-17-2), with molecular formula C10H11N3O2 and molecular weight 205.09 g/mol. IUPAC: 3-nitro-4-(propan-2-ylamino)benzonitrile.
Chemical Property Profile of 4-(Isopropylamino)-3-nitrobenzonitrile
Property Insights of 4-(Isopropylamino)-3-nitrobenzonitrile
The XLogP value of 2.28678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Isopropylamino)-3-nitrobenzonitrile. The TPSA of 78.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Isopropylamino)-3-nitrobenzonitrile. Following Lipinski's Rule of Five, 4-(Isopropylamino)-3-nitrobenzonitrile 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 4-(Isopropylamino)-3-nitrobenzonitrile?
The CAS number of 4-(Isopropylamino)-3-nitrobenzonitrile is 355022-17-2.
What is the molecular formula of 4-(Isopropylamino)-3-nitrobenzonitrile?
The molecular formula of 4-(Isopropylamino)-3-nitrobenzonitrile is C10H11N3O2.
What is the molecular weight of 4-(Isopropylamino)-3-nitrobenzonitrile?
The molecular weight of 4-(Isopropylamino)-3-nitrobenzonitrile is 205.09 g/mol.
Where can I buy 4-(Isopropylamino)-3-nitrobenzonitrile?
You can request a quote for 4-(Isopropylamino)-3-nitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Isopropylamino)-3-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Isopropylamino)-3-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.