N-benzyl-N-phenylnitramide
TL;DR: N-benzyl-N-phenylnitramide (CAS 156461-87-9) is a chemical compound with molecular formula C13H12N2O2 and molecular weight 228.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-benzyl-N-phenylnitramide
Also Known As: Nitrobenzylanilin, N-benzyl-N-phenylnitramide, 2-benzyl-1-hydroxy-2-phenylhydrazine 1-oxide, AE-842/33001003
Technical Specifications
| Molecular Formula | C13H12N2O2 |
| Molecular Weight | 228.08987 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.08987 Da |
| Heavy Atoms | 17 |
| Complexity | 240.0 |
| SMILES | C1=CC=C(C=C1)CN(C2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | PGKLZTCDODUESO-UHFFFAOYSA-N |
Chemical Property Profile of N-benzyl-N-phenylnitramide
Property Insights of N-benzyl-N-phenylnitramide
The XLogP value of 4.4 indicates that N-benzyl-N-phenylnitramide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, N-benzyl-N-phenylnitramide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-N-phenylnitramide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-benzyl-N-phenylnitramide?
The CAS number of N-benzyl-N-phenylnitramide is 156461-87-9.
What is the molecular formula of N-benzyl-N-phenylnitramide?
The molecular formula of N-benzyl-N-phenylnitramide is C13H12N2O2.
What is the molecular weight of N-benzyl-N-phenylnitramide?
The molecular weight of N-benzyl-N-phenylnitramide is 228.08987 g/mol.
Where can I buy N-benzyl-N-phenylnitramide?
You can request a quote for N-benzyl-N-phenylnitramide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-benzyl-N-phenylnitramide?
Yes, CoreyChem provides custom synthesis services for N-benzyl-N-phenylnitramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.