Benzenamine, N-(2-methyl-2-nitropropyl)-
TL;DR: Benzenamine, N-(2-methyl-2-nitropropyl)- (CAS 5448-31-7) is a chemical compound with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methyl-2-nitropropyl)aniline
Also Known As: n-(2-methyl-2-nitropropyl)aniline, Benzenamine, N-(2-methyl-2-nitropropyl)-, 1-anilino-2-methyl-2-nitropropane, N-(2-Methyl-2-nitropropyl)benzenamine, Benzenamine,N-(2-methyl-2-nitropropyl)
| Molecular Formula | C10H14N2O2 |
|---|---|
| Molecular Weight | 194.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.10553 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 5448-31-7 |
|---|---|
| SMILES | CC(C)(CNC1=CC=CC=C1)[N+](=O)[O-] |
| InChIKey | VXMCOYAYZHUGIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenamine, N-(2-methyl-2-nitropropyl)- (CAS 5448-31-7), with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol. IUPAC: N-(2-methyl-2-nitropropyl)aniline.
Chemical Property Profile of Benzenamine, N-(2-methyl-2-nitropropyl)-
Property Insights of Benzenamine, N-(2-methyl-2-nitropropyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenamine, N-(2-methyl-2-nitropropyl)-. With a topological polar surface area (TPSA) of 57.9 Ų, Benzenamine, N-(2-methyl-2-nitropropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, N-(2-methyl-2-nitropropyl)- 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 Benzenamine, N-(2-methyl-2-nitropropyl)-?
The CAS number of Benzenamine, N-(2-methyl-2-nitropropyl)- is 5448-31-7.
What is the molecular formula of Benzenamine, N-(2-methyl-2-nitropropyl)-?
The molecular formula of Benzenamine, N-(2-methyl-2-nitropropyl)- is C10H14N2O2.
What is the molecular weight of Benzenamine, N-(2-methyl-2-nitropropyl)-?
The molecular weight of Benzenamine, N-(2-methyl-2-nitropropyl)- is 194.11 g/mol.
Where can I buy Benzenamine, N-(2-methyl-2-nitropropyl)-?
You can request a quote for Benzenamine, N-(2-methyl-2-nitropropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, N-(2-methyl-2-nitropropyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, N-(2-methyl-2-nitropropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.