Benzenamine, N-(1,3-benzodioxol-5-ylmethylene)-4-nitro-
TL;DR: Benzenamine, N-(1,3-benzodioxol-5-ylmethylene)-4-nitro- (CAS 113659-62-4) is a chemical compound with molecular formula C14H10N2O4 and molecular weight 270.06406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)methanimine
Also Known As: Benzenamine, N-(1,3-benzodioxol-5-ylmethylene)-4-nitro-, 1-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)methanimine, N-(1,3-benzodioxol-5-ylmethylene)-4-nitroaniline, Benzenamine,N-(1,3-benzodioxol-5-ylmethylene)-4-nitro, (E)-1-(2H-1,3-Benzodioxol-5-yl)-N-(4-nitrophenyl)methanimine
Technical Specifications
| Molecular Formula | C14H10N2O4 |
| Molecular Weight | 270.06406 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 76.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.06406 Da |
| Heavy Atoms | 20 |
| Complexity | 374.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)C=NC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | VOMKKZGQKCDFIH-UHFFFAOYSA-N |
Chemical Property Profile of Benzenamine, N-(1,3-benzodioxol-5-ylmethylene)-4-nitro-
Property Insights of Benzenamine, N-(1,3-benzodioxol-5-ylmethylene)-4-nitro-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenamine, N-(1,3-benzodioxol-5-ylmethylene)-4-nitro-. The TPSA of 76.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenamine, N-(1,3-benzodioxol-5-ylmethylene)-4-nitro-. Following Lipinski's Rule of Five, Benzenamine, N-(1,3-benzodioxol-5-ylmethylene)-4-nitro- 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
What is the CAS number of Benzenamine, N-(1,3-benzodioxol-5-ylmethylene)-4-nitro-?
The CAS number of Benzenamine, N-(1,3-benzodioxol-5-ylmethylene)-4-nitro- is 113659-62-4.
What is the molecular formula of Benzenamine, N-(1,3-benzodioxol-5-ylmethylene)-4-nitro-?
The molecular formula of Benzenamine, N-(1,3-benzodioxol-5-ylmethylene)-4-nitro- is C14H10N2O4.
What is the molecular weight of Benzenamine, N-(1,3-benzodioxol-5-ylmethylene)-4-nitro-?
The molecular weight of Benzenamine, N-(1,3-benzodioxol-5-ylmethylene)-4-nitro- is 270.06406 g/mol.
Where can I buy Benzenamine, N-(1,3-benzodioxol-5-ylmethylene)-4-nitro-?
You can request a quote for Benzenamine, N-(1,3-benzodioxol-5-ylmethylene)-4-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenamine, N-(1,3-benzodioxol-5-ylmethylene)-4-nitro-?
Yes, CoreyChem provides custom synthesis services for Benzenamine, N-(1,3-benzodioxol-5-ylmethylene)-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.