![N-[(3-nitrophenyl)methyl]butan-2-amine structure](/static/products/893/893589-94-1.png)
N-[(3-nitrophenyl)methyl]butan-2-amine
TL;DR: N-[(3-nitrophenyl)methyl]butan-2-amine (CAS 893589-94-1) is a chemical compound with molecular formula C11H16N2O2 and molecular weight 208.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-nitrophenyl)methyl]butan-2-amine
Also Known As: n-(3-Nitrobenzyl)butan-2-amine, (Butan-2-yl)[(3-nitrophenyl)methyl]amine, N-[(3-nitrophenyl)methyl]butan-2-amine, (butan-2-yl)(3-nitrophenyl)methylamine, (methylpropyl)[(3-nitrophenyl)methyl]amine
| Molecular Formula | C11H16N2O2 |
|---|---|
| Molecular Weight | 208.12 g/mol |
| LogP | 2.4829 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.12119 |
| Heavy Atoms | 15 |
| Complexity | 339.11475 |
Chemical Identifiers
| CAS Number | 893589-94-1 |
|---|---|
| SMILES | CCC(C)NCC1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
N-[(3-nitrophenyl)methyl]butan-2-amine (CAS 893589-94-1), with molecular formula C11H16N2O2 and molecular weight 208.12 g/mol. IUPAC: N-[(3-nitrophenyl)methyl]butan-2-amine.
Chemical Property Profile of N-[(3-nitrophenyl)methyl]butan-2-amine
Property Insights of N-[(3-nitrophenyl)methyl]butan-2-amine
The XLogP value of 2.4829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(3-nitrophenyl)methyl]butan-2-amine. With a topological polar surface area (TPSA) of 55.17 Ų, N-[(3-nitrophenyl)methyl]butan-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(3-nitrophenyl)methyl]butan-2-amine 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-[(3-nitrophenyl)methyl]butan-2-amine?
The CAS number of N-[(3-nitrophenyl)methyl]butan-2-amine is 893589-94-1.
What is the molecular formula of N-[(3-nitrophenyl)methyl]butan-2-amine?
The molecular formula of N-[(3-nitrophenyl)methyl]butan-2-amine is C11H16N2O2.
What is the molecular weight of N-[(3-nitrophenyl)methyl]butan-2-amine?
The molecular weight of N-[(3-nitrophenyl)methyl]butan-2-amine is 208.12 g/mol.
Where can I buy N-[(3-nitrophenyl)methyl]butan-2-amine?
You can request a quote for N-[(3-nitrophenyl)methyl]butan-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3-nitrophenyl)methyl]butan-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-nitrophenyl)methyl]butan-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.