N,N-Dimethyl-4-((1E)-2-nitro-1-propen-1-yl)benzenamine
TL;DR: N,N-Dimethyl-4-((1E)-2-nitro-1-propen-1-yl)benzenamine (CAS 52287-57-7) is a chemical compound with molecular formula C11H14N2O2 and molecular weight 206.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-[(E)-2-nitroprop-1-enyl]aniline
Also Known As: N,N-dimethyl-4-(2-nitro-1-propen-1-yl)aniline, N,N-dimethyl-4-[(E)-2-nitroprop-1-enyl]aniline, CDS1_000946, J1.366.672E, J2.610.971J
| Molecular Formula | C11H14N2O2 |
|---|---|
| Molecular Weight | 206.11 g/mol |
| LogP | 2.3901 |
| Topological Polar Surface Area | 46.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.10553 |
| Heavy Atoms | 15 |
| Complexity | 380.0793 |
Chemical Identifiers
| CAS Number | 52287-57-7 |
|---|---|
| SMILES | C/C(=C\C1=CC=C(C=C1)N(C)C)/[N+](=O)[O-] |
Product Overview
N,N-Dimethyl-4-((1E)-2-nitro-1-propen-1-yl)benzenamine (CAS 52287-57-7), with molecular formula C11H14N2O2 and molecular weight 206.11 g/mol. IUPAC: N,N-dimethyl-4-[(E)-2-nitroprop-1-enyl]aniline.
Chemical Property Profile of N,N-Dimethyl-4-((1E)-2-nitro-1-propen-1-yl)benzenamine
Property Insights of N,N-Dimethyl-4-((1E)-2-nitro-1-propen-1-yl)benzenamine
The XLogP value of 2.3901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Dimethyl-4-((1E)-2-nitro-1-propen-1-yl)benzenamine. With a topological polar surface area (TPSA) of 46.38 Ų, N,N-Dimethyl-4-((1E)-2-nitro-1-propen-1-yl)benzenamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Dimethyl-4-((1E)-2-nitro-1-propen-1-yl)benzenamine 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 N,N-Dimethyl-4-((1E)-2-nitro-1-propen-1-yl)benzenamine?
The CAS number of N,N-Dimethyl-4-((1E)-2-nitro-1-propen-1-yl)benzenamine is 52287-57-7.
What is the molecular formula of N,N-Dimethyl-4-((1E)-2-nitro-1-propen-1-yl)benzenamine?
The molecular formula of N,N-Dimethyl-4-((1E)-2-nitro-1-propen-1-yl)benzenamine is C11H14N2O2.
What is the molecular weight of N,N-Dimethyl-4-((1E)-2-nitro-1-propen-1-yl)benzenamine?
The molecular weight of N,N-Dimethyl-4-((1E)-2-nitro-1-propen-1-yl)benzenamine is 206.11 g/mol.
Where can I buy N,N-Dimethyl-4-((1E)-2-nitro-1-propen-1-yl)benzenamine?
You can request a quote for N,N-Dimethyl-4-((1E)-2-nitro-1-propen-1-yl)benzenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dimethyl-4-((1E)-2-nitro-1-propen-1-yl)benzenamine?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethyl-4-((1E)-2-nitro-1-propen-1-yl)benzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.