N-亚硝基-N-苄基苯胺
TL;DR: N-亚硝基-N-苄基苯胺 (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-亚硝基-N-苄基苯胺
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
N-亚硝基-N-苄基苯胺 (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 N-亚硝基-N-苄基苯胺
Property Insights of N-亚硝基-N-苄基苯胺
The XLogP value of 3.4 indicates that N-亚硝基-N-苄基苯胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, N-亚硝基-N-苄基苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-亚硝基-N-苄基苯胺 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 N-亚硝基-N-苄基苯胺?
The CAS number of N-亚硝基-N-苄基苯胺 is 612-98-6.
What is the molecular formula of N-亚硝基-N-苄基苯胺?
The molecular formula of N-亚硝基-N-苄基苯胺 is C13H12N2O.
What is the molecular weight of N-亚硝基-N-苄基苯胺?
The molecular weight of N-亚硝基-N-苄基苯胺 is 212.09 g/mol.
Where can I buy N-亚硝基-N-苄基苯胺?
You can request a quote for N-亚硝基-N-苄基苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-亚硝基-N-苄基苯胺?
Yes, KEHONG BIO provides custom synthesis services for N-亚硝基-N-苄基苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.