Benzylphenylnitrosamine
TL;DR: Benzylphenylnitrosamine (CAS 612-98-6) is a chemical compound with molecular formula C13H12N2O and molecular weight 212.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-N-phenylnitrous amide
Also Known As: Benzylphenylnitrosamine, N-Benzyl-N-nitrosoaniline, Nitrosobenzylphenylamine, N-Nitrosophenylbenzylamine, N-Phenyl-N-nitrosobenzylamine
| Molecular Formula | C13H12N2O |
|---|---|
| Molecular Weight | 212.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.09496 |
| Heavy Atoms | 16 |
| Complexity | 208.0 |
| Vapor Pressure | 0.000013 [mmHg] |
Chemical Identifiers
| CAS Number | 612-98-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(C2=CC=CC=C2)N=O |
| InChIKey | BCIBCBXFXGKGBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzylphenylnitrosamine (CAS 612-98-6), with molecular formula C13H12N2O and molecular weight 212.09 g/mol. IUPAC: N-benzyl-N-phenylnitrous amide.
Chemical Property Profile of Benzylphenylnitrosamine
Property Insights of Benzylphenylnitrosamine
The XLogP value of 3.4 indicates that Benzylphenylnitrosamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, Benzylphenylnitrosamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylphenylnitrosamine 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
Frequently Asked Questions
What is the CAS number of Benzylphenylnitrosamine?
The CAS number of Benzylphenylnitrosamine is 612-98-6.
What is the molecular formula of Benzylphenylnitrosamine?
The molecular formula of Benzylphenylnitrosamine is C13H12N2O.
What is the molecular weight of Benzylphenylnitrosamine?
The molecular weight of Benzylphenylnitrosamine is 212.09 g/mol.
Where can I buy Benzylphenylnitrosamine?
You can request a quote for Benzylphenylnitrosamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylphenylnitrosamine?
Yes, KEHONG BIO provides custom synthesis services for Benzylphenylnitrosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.