Benzyl(methyl)(2-methyl-2-nitropropyl)amine
TL;DR: Benzyl(methyl)(2-methyl-2-nitropropyl)amine (CAS 164403-25-2) is a chemical compound with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-N,2-dimethyl-2-nitropropan-1-amine
Also Known As: benzyl(methyl)(2-methyl-2-nitropropyl)amine, N-benzyl-N,2-dimethyl-2-nitro-propan-1-amine
| Molecular Formula | C12H18N2O2 |
|---|---|
| Molecular Weight | 222.14 g/mol |
| LogP | 2.1737 |
| Topological Polar Surface Area | 46.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.13683 |
| Heavy Atoms | 16 |
| Complexity | 349.2962 |
Chemical Identifiers
| CAS Number | 164403-25-2 |
|---|---|
| SMILES | CC(C)(CN(C)CC1=CC=CC=C1)[N+](=O)[O-] |
Product Overview
Benzyl(methyl)(2-methyl-2-nitropropyl)amine (CAS 164403-25-2), with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol. IUPAC: N-benzyl-N,2-dimethyl-2-nitropropan-1-amine.
Chemical Property Profile of Benzyl(methyl)(2-methyl-2-nitropropyl)amine
Property Insights of Benzyl(methyl)(2-methyl-2-nitropropyl)amine
The XLogP value of 2.1737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl(methyl)(2-methyl-2-nitropropyl)amine. With a topological polar surface area (TPSA) of 46.38 Ų, Benzyl(methyl)(2-methyl-2-nitropropyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl(methyl)(2-methyl-2-nitropropyl)amine 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 Benzyl(methyl)(2-methyl-2-nitropropyl)amine?
The CAS number of Benzyl(methyl)(2-methyl-2-nitropropyl)amine is 164403-25-2.
What is the molecular formula of Benzyl(methyl)(2-methyl-2-nitropropyl)amine?
The molecular formula of Benzyl(methyl)(2-methyl-2-nitropropyl)amine is C12H18N2O2.
What is the molecular weight of Benzyl(methyl)(2-methyl-2-nitropropyl)amine?
The molecular weight of Benzyl(methyl)(2-methyl-2-nitropropyl)amine is 222.14 g/mol.
Where can I buy Benzyl(methyl)(2-methyl-2-nitropropyl)amine?
You can request a quote for Benzyl(methyl)(2-methyl-2-nitropropyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl(methyl)(2-methyl-2-nitropropyl)amine?
Yes, KEHONG BIO provides custom synthesis services for Benzyl(methyl)(2-methyl-2-nitropropyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.