Benzenemethanamine, N-butyl-3-nitro-
TL;DR: Benzenemethanamine, N-butyl-3-nitro- (CAS 6272-13-5) 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-1-amine
Also Known As: Benzylamine der, Benzenemethanamine, N-butyl-3-nitro-, N-Butyl-3-nitrobenzylamin, N-(3-Nitrobenzyl)butan-1-amine, N-[(3-nitrophenyl)methyl]butan-1-amine
| Molecular Formula | C11H16N2O2 |
|---|---|
| Molecular Weight | 208.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.12119 |
| Heavy Atoms | 15 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 6272-13-5 |
|---|---|
| SMILES | CCCCNCC1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | LFIUBWLELXVDML-UHFFFAOYSA-N |
Product Overview
Benzenemethanamine, N-butyl-3-nitro- (CAS 6272-13-5), with molecular formula C11H16N2O2 and molecular weight 208.12 g/mol. IUPAC: N-[(3-nitrophenyl)methyl]butan-1-amine.
Chemical Property Profile of Benzenemethanamine, N-butyl-3-nitro-
Property Insights of Benzenemethanamine, N-butyl-3-nitro-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanamine, N-butyl-3-nitro-. With a topological polar surface area (TPSA) of 57.9 Ų, Benzenemethanamine, N-butyl-3-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanamine, N-butyl-3-nitro- 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 Benzenemethanamine, N-butyl-3-nitro-?
The CAS number of Benzenemethanamine, N-butyl-3-nitro- is 6272-13-5.
What is the molecular formula of Benzenemethanamine, N-butyl-3-nitro-?
The molecular formula of Benzenemethanamine, N-butyl-3-nitro- is C11H16N2O2.
What is the molecular weight of Benzenemethanamine, N-butyl-3-nitro-?
The molecular weight of Benzenemethanamine, N-butyl-3-nitro- is 208.12 g/mol.
Where can I buy Benzenemethanamine, N-butyl-3-nitro-?
You can request a quote for Benzenemethanamine, N-butyl-3-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanamine, N-butyl-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, N-butyl-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.