N-苯基亚硝酰胺
TL;DR: N-苯基亚硝酰胺 (CAS 71918-51-9) is a chemical compound with molecular formula C6H6N2O and molecular weight 122.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-苯基亚硝酰胺
N-phenylnitrous amide
Also Known As: N-phenylnitrous Amide, N-nitrosoaniline, nitrosoaniline, Oxyazobenzol, Nitrous amide, N-phenyl-
| Molecular Formula | C6H6N2O |
|---|---|
| Molecular Weight | 122.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 122.04801 |
| Heavy Atoms | 9 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 71918-51-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NN=O |
| InChIKey | KOOMFXGDLMRWSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-苯基亚硝酰胺 (CAS 71918-51-9), with molecular formula C6H6N2O and molecular weight 122.05 g/mol. IUPAC: N-phenylnitrous amide.
Chemical Property Profile of N-苯基亚硝酰胺
Property Insights of N-苯基亚硝酰胺
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-苯基亚硝酰胺. With a topological polar surface area (TPSA) of 41.5 Ų, N-苯基亚硝酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-苯基亚硝酰胺 has 1 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-苯基亚硝酰胺?
The CAS number of N-苯基亚硝酰胺 is 71918-51-9.
What is the molecular formula of N-苯基亚硝酰胺?
The molecular formula of N-苯基亚硝酰胺 is C6H6N2O.
What is the molecular weight of N-苯基亚硝酰胺?
The molecular weight of N-苯基亚硝酰胺 is 122.05 g/mol.
Where can I buy N-苯基亚硝酰胺?
You can request a quote for N-苯基亚硝酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-苯基亚硝酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-苯基亚硝酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.