N-亚硝基二苯胺
TL;DR: N-亚硝基二苯胺 (CAS 86-30-6) is a chemical compound with molecular formula C12H10N2O and molecular weight 198.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-亚硝基二苯胺
N,N-diphenylnitrous amide
Also Known As: N-NITROSODIPHENYLAMINE, Diphenylnitrosamine, Nitrosodiphenylamine, Vultrol, Redax
| Molecular Formula | C12H10N2O |
|---|---|
| Molecular Weight | 198.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.07932 |
| Heavy Atoms | 15 |
| Complexity | 178.0 |
| Melting Point | 66.5 °C |
| Boiling Point | 101 °C |
| Density | 1.23 |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Vapor Pressure | 0.00007 [mmHg] |
Chemical Identifiers
| CAS Number | 86-30-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O |
| InChIKey | UBUCNCOMADRQHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-亚硝基二苯胺 (CAS 86-30-6), with molecular formula C12H10N2O and molecular weight 198.08 g/mol. IUPAC: N,N-diphenylnitrous amide.
Chemical Property Profile of N-亚硝基二苯胺
Property Insights of N-亚硝基二苯胺
The XLogP value of 3.1 indicates that N-亚硝基二苯胺 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-亚硝基二苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-亚硝基二苯胺 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-亚硝基二苯胺?
The CAS number of N-亚硝基二苯胺 is 86-30-6.
What is the molecular formula of N-亚硝基二苯胺?
The molecular formula of N-亚硝基二苯胺 is C12H10N2O.
What is the molecular weight of N-亚硝基二苯胺?
The molecular weight of N-亚硝基二苯胺 is 198.08 g/mol.
Where can I buy N-亚硝基二苯胺?
You can request a quote for N-亚硝基二苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-亚硝基二苯胺?
Yes, KEHONG BIO provides custom synthesis services for N-亚硝基二苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.