2,4-dinitro-N-(prop-2-enylideneamino)aniline
TL;DR: 2,4-dinitro-N-(prop-2-enylideneamino)aniline (CAS 94584-69-7) is a chemical compound with molecular formula C9H8N4O4 and molecular weight 236.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dinitro-N-[(E)-prop-2-enylideneamino]aniline
Also Known As: Acrolein 2,4-dinitrophenylhydrazone, Acrolein-DNPH, Acrolein-2,4-DNPH, Acrolein-DNPH solution, Acrolein-2,4-dinitrophenylhydrazone
| Molecular Formula | C9H8N4O4 |
|---|---|
| Molecular Weight | 236.05 g/mol |
| LogP | 2.0867 |
| Topological Polar Surface Area | 110.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.05455 |
| Heavy Atoms | 17 |
| Complexity | 497.76926 |
Chemical Identifiers
| CAS Number | 94584-69-7 |
|---|---|
| SMILES | C=C/C=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2,4-dinitro-N-(prop-2-enylideneamino)aniline (CAS 94584-69-7), with molecular formula C9H8N4O4 and molecular weight 236.05 g/mol. IUPAC: 2,4-dinitro-N-[(E)-prop-2-enylideneamino]aniline.
Chemical Property Profile of 2,4-dinitro-N-(prop-2-enylideneamino)aniline
Property Insights of 2,4-dinitro-N-(prop-2-enylideneamino)aniline
The XLogP value of 2.0867 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-dinitro-N-(prop-2-enylideneamino)aniline. The TPSA of 110.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-dinitro-N-(prop-2-enylideneamino)aniline. Following Lipinski's Rule of Five, 2,4-dinitro-N-(prop-2-enylideneamino)aniline has 1 hydrogen bond donor(s) and 6 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 2,4-dinitro-N-(prop-2-enylideneamino)aniline?
The CAS number of 2,4-dinitro-N-(prop-2-enylideneamino)aniline is 94584-69-7.
What is the molecular formula of 2,4-dinitro-N-(prop-2-enylideneamino)aniline?
The molecular formula of 2,4-dinitro-N-(prop-2-enylideneamino)aniline is C9H8N4O4.
What is the molecular weight of 2,4-dinitro-N-(prop-2-enylideneamino)aniline?
The molecular weight of 2,4-dinitro-N-(prop-2-enylideneamino)aniline is 236.05 g/mol.
Where can I buy 2,4-dinitro-N-(prop-2-enylideneamino)aniline?
You can request a quote for 2,4-dinitro-N-(prop-2-enylideneamino)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-dinitro-N-(prop-2-enylideneamino)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2,4-dinitro-N-(prop-2-enylideneamino)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.