N-(3-Nitrobenzyl)-2-phenylethanamine
TL;DR: N-(3-Nitrobenzyl)-2-phenylethanamine (CAS 104720-70-9) is a chemical compound with molecular formula C15H16N2O2 and molecular weight 256.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-nitrophenyl)methyl]-2-phenylethanamine
Also Known As: N-(3-Nitrobenzyl)-2-phenylethanamine, Hexanediamide,N,N'-dibutyl, (3-NITROBENZYL)(2-PHENYLETHYL)AMINE, ZERO/001790, N-[(3-nitrophenyl)methyl]-2-phenylethanamine
| Molecular Formula | C15H16N2O2 |
|---|---|
| Molecular Weight | 256.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.1212 |
| Heavy Atoms | 19 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 104720-70-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNCC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | LLMBTUCGGDSIQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3-Nitrobenzyl)-2-phenylethanamine (CAS 104720-70-9), with molecular formula C15H16N2O2 and molecular weight 256.12 g/mol. IUPAC: N-[(3-nitrophenyl)methyl]-2-phenylethanamine.
Chemical Property Profile of N-(3-Nitrobenzyl)-2-phenylethanamine
Property Insights of N-(3-Nitrobenzyl)-2-phenylethanamine
The XLogP value of 3.4 indicates that N-(3-Nitrobenzyl)-2-phenylethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, N-(3-Nitrobenzyl)-2-phenylethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-Nitrobenzyl)-2-phenylethanamine 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-Nitrobenzyl)-2-phenylethanamine?
The CAS number of N-(3-Nitrobenzyl)-2-phenylethanamine is 104720-70-9.
What is the molecular formula of N-(3-Nitrobenzyl)-2-phenylethanamine?
The molecular formula of N-(3-Nitrobenzyl)-2-phenylethanamine is C15H16N2O2.
What is the molecular weight of N-(3-Nitrobenzyl)-2-phenylethanamine?
The molecular weight of N-(3-Nitrobenzyl)-2-phenylethanamine is 256.12 g/mol.
Where can I buy N-(3-Nitrobenzyl)-2-phenylethanamine?
You can request a quote for N-(3-Nitrobenzyl)-2-phenylethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Nitrobenzyl)-2-phenylethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Nitrobenzyl)-2-phenylethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.