Propanedinitrile, 2-((4-nitrophenyl)methylene)-
TL;DR: Propanedinitrile, 2-((4-nitrophenyl)methylene)- (CAS 17082-32-5) is a chemical compound with molecular formula C10H7N3 and molecular weight 169.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-aminophenyl)methylidene]propanedinitrile
Also Known As: 4-dicyanovinylaniline, 4-Aminobenzylidenemalononitrile, 4-(2,2-Dicyanovinyl)aniline, 2-[(4-aminophenyl)methylidene]propanedinitrile, 2-(4-Aminobenzylidene)malononitrile
| Molecular Formula | C10H7N3 |
|---|---|
| Molecular Weight | 169.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.064 |
| Heavy Atoms | 13 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 17082-32-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(C#N)C#N)N |
| InChIKey | IOWNEECKBOJVEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedinitrile, 2-((4-nitrophenyl)methylene)- (CAS 17082-32-5), with molecular formula C10H7N3 and molecular weight 169.06 g/mol. IUPAC: 2-[(4-aminophenyl)methylidene]propanedinitrile.
Chemical Property Profile of Propanedinitrile, 2-((4-nitrophenyl)methylene)-
Property Insights of Propanedinitrile, 2-((4-nitrophenyl)methylene)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, 2-((4-nitrophenyl)methylene)-. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedinitrile, 2-((4-nitrophenyl)methylene)-. Following Lipinski's Rule of Five, Propanedinitrile, 2-((4-nitrophenyl)methylene)- 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
Frequently Asked Questions
What is the CAS number of Propanedinitrile, 2-((4-nitrophenyl)methylene)-?
The CAS number of Propanedinitrile, 2-((4-nitrophenyl)methylene)- is 17082-32-5.
What is the molecular formula of Propanedinitrile, 2-((4-nitrophenyl)methylene)-?
The molecular formula of Propanedinitrile, 2-((4-nitrophenyl)methylene)- is C10H7N3.
What is the molecular weight of Propanedinitrile, 2-((4-nitrophenyl)methylene)-?
The molecular weight of Propanedinitrile, 2-((4-nitrophenyl)methylene)- is 169.06 g/mol.
Where can I buy Propanedinitrile, 2-((4-nitrophenyl)methylene)-?
You can request a quote for Propanedinitrile, 2-((4-nitrophenyl)methylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, 2-((4-nitrophenyl)methylene)-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, 2-((4-nitrophenyl)methylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.