3-(Dimethylamino)-1-(4-nitrophenyl)-1-propanone
TL;DR: 3-(Dimethylamino)-1-(4-nitrophenyl)-1-propanone (CAS 75902-86-2) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-1-(4-nitrophenyl)propan-1-one
Also Known As: NDPP, 4-Nitro-3-dimethylaminopropiophenone, 3-(Dimethylamino)-1-(4-nitrophenyl)-1-propanone, 3-(dimethylamino)-1-(4-nitrophenyl)propan-1-one, beta-N,N-Dimethyl-p-nitropropiophenone
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.10045 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 75902-86-2 |
|---|---|
| SMILES | CN(C)CCC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | SJPJHLBDGCNLAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Dimethylamino)-1-(4-nitrophenyl)-1-propanone (CAS 75902-86-2), with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol. IUPAC: 3-(dimethylamino)-1-(4-nitrophenyl)propan-1-one.
Chemical Property Profile of 3-(Dimethylamino)-1-(4-nitrophenyl)-1-propanone
Property Insights of 3-(Dimethylamino)-1-(4-nitrophenyl)-1-propanone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)-1-(4-nitrophenyl)-1-propanone. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Dimethylamino)-1-(4-nitrophenyl)-1-propanone. Following Lipinski's Rule of Five, 3-(Dimethylamino)-1-(4-nitrophenyl)-1-propanone has 0 hydrogen bond donor(s) and 4 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 3-(Dimethylamino)-1-(4-nitrophenyl)-1-propanone?
The CAS number of 3-(Dimethylamino)-1-(4-nitrophenyl)-1-propanone is 75902-86-2.
What is the molecular formula of 3-(Dimethylamino)-1-(4-nitrophenyl)-1-propanone?
The molecular formula of 3-(Dimethylamino)-1-(4-nitrophenyl)-1-propanone is C11H14N2O3.
What is the molecular weight of 3-(Dimethylamino)-1-(4-nitrophenyl)-1-propanone?
The molecular weight of 3-(Dimethylamino)-1-(4-nitrophenyl)-1-propanone is 222.10 g/mol.
Where can I buy 3-(Dimethylamino)-1-(4-nitrophenyl)-1-propanone?
You can request a quote for 3-(Dimethylamino)-1-(4-nitrophenyl)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)-1-(4-nitrophenyl)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-1-(4-nitrophenyl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.