3-硝基苄胺
TL;DR: 3-硝基苄胺 (CAS 7409-18-9) is a chemical compound with molecular formula C7H8N2O2 and molecular weight 152.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-硝基苄胺
(3-nitrophenyl)methanamine
Also Known As: (3-Nitrophenyl)methanamine, 3-Nitrobenzylamine, meta-Nitrobenzylamine, m-nitrobenzylamine, Benzylamine der
| Molecular Formula | C7H8N2O2 |
|---|---|
| Molecular Weight | 152.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.05858 |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 7409-18-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CN |
| InChIKey | CIUYJYRQKYGNQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-硝基苄胺 (CAS 7409-18-9), with molecular formula C7H8N2O2 and molecular weight 152.06 g/mol. IUPAC: (3-nitrophenyl)methanamine.
Chemical Property Profile of 3-硝基苄胺
Property Insights of 3-硝基苄胺
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-硝基苄胺. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-硝基苄胺. Following Lipinski's Rule of Five, 3-硝基苄胺 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 3-硝基苄胺?
The CAS number of 3-硝基苄胺 is 7409-18-9.
What is the molecular formula of 3-硝基苄胺?
The molecular formula of 3-硝基苄胺 is C7H8N2O2.
What is the molecular weight of 3-硝基苄胺?
The molecular weight of 3-硝基苄胺 is 152.06 g/mol.
Where can I buy 3-硝基苄胺?
You can request a quote for 3-硝基苄胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-硝基苄胺?
Yes, KEHONG BIO provides custom synthesis services for 3-硝基苄胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.