Benzenemethanamine, 4-(dimethylamino)-3-nitro-N-(4-nitrophenyl)-
TL;DR: Benzenemethanamine, 4-(dimethylamino)-3-nitro-N-(4-nitrophenyl)- (CAS 106808-64-4) is a chemical compound with molecular formula C15H16N4O4 and molecular weight 316.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-nitro-4-[(4-nitroanilino)methyl]aniline
Also Known As: N-(4-Nitrophenyl)-3-nitro-4-N,N-dimethylaminobenzylamine, Benzenemethanamine, 4-(dimethylamino)-3-nitro-N-(4-nitrophenyl)-, 4-(Dimethylamino)-3-nitro-N-(4-nitrophenyl)benzenemethanamine, N,N-dimethyl-2-nitro-4-[(4-nitroanilino)methyl]aniline, RefChem:324749
| Molecular Formula | C15H16N4O4 |
|---|---|
| Molecular Weight | 316.12 g/mol |
| LogP | 3.1811 |
| Topological Polar Surface Area | 101.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.11716 |
| Heavy Atoms | 23 |
| Complexity | 728.7568 |
Chemical Identifiers
| CAS Number | 106808-64-4 |
|---|---|
| SMILES | CN(C)C1=C(C=C(C=C1)CNC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Benzenemethanamine, 4-(dimethylamino)-3-nitro-N-(4-nitrophenyl)- (CAS 106808-64-4), with molecular formula C15H16N4O4 and molecular weight 316.12 g/mol. IUPAC: N,N-dimethyl-2-nitro-4-[(4-nitroanilino)methyl]aniline.
Chemical Property Profile of Benzenemethanamine, 4-(dimethylamino)-3-nitro-N-(4-nitrophenyl)-
Property Insights of Benzenemethanamine, 4-(dimethylamino)-3-nitro-N-(4-nitrophenyl)-
The XLogP value of 3.1811 indicates that Benzenemethanamine, 4-(dimethylamino)-3-nitro-N-(4-nitrophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenemethanamine, 4-(dimethylamino)-3-nitro-N-(4-nitrophenyl)-. Following Lipinski's Rule of Five, Benzenemethanamine, 4-(dimethylamino)-3-nitro-N-(4-nitrophenyl)- 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 Benzenemethanamine, 4-(dimethylamino)-3-nitro-N-(4-nitrophenyl)-?
The CAS number of Benzenemethanamine, 4-(dimethylamino)-3-nitro-N-(4-nitrophenyl)- is 106808-64-4.
What is the molecular formula of Benzenemethanamine, 4-(dimethylamino)-3-nitro-N-(4-nitrophenyl)-?
The molecular formula of Benzenemethanamine, 4-(dimethylamino)-3-nitro-N-(4-nitrophenyl)- is C15H16N4O4.
What is the molecular weight of Benzenemethanamine, 4-(dimethylamino)-3-nitro-N-(4-nitrophenyl)-?
The molecular weight of Benzenemethanamine, 4-(dimethylamino)-3-nitro-N-(4-nitrophenyl)- is 316.12 g/mol.
Where can I buy Benzenemethanamine, 4-(dimethylamino)-3-nitro-N-(4-nitrophenyl)-?
You can request a quote for Benzenemethanamine, 4-(dimethylamino)-3-nitro-N-(4-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanamine, 4-(dimethylamino)-3-nitro-N-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, 4-(dimethylamino)-3-nitro-N-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.