3-(Dimethylamino)-2-(2,2-dimethylpropanoyl)acrylonitrile
TL;DR: 3-(Dimethylamino)-2-(2,2-dimethylpropanoyl)acrylonitrile (CAS 1235478-04-2) is a chemical compound with molecular formula C10H16N2O and molecular weight 180.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylaminomethylidene)-4,4-dimethyl-3-oxopentanenitrile
Also Known As: 3-(dimethylamino)-2-(2,2-dimethylpropanoyl)acrylonitrile, 2-(dimethylaminomethylidene)-4,4-dimethyl-3-oxopentanenitrile, 2-[(DIMETHYLAMINO)METHYLIDENE]-4,4-DIMETHYL-3-OXOPENTANENITRILE, 2-(dimethylaminomethylene)-4,4-dimethyl-3-oxo-pentanenitrile, 2-[(dimethylamino)methylene]-4,4-dimethyl-3-oxopentanenitrile
| Molecular Formula | C10H16N2O |
|---|---|
| Molecular Weight | 180.13 g/mol |
| LogP | 1.57068 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.12627 |
| Heavy Atoms | 13 |
| Complexity | 263.6298 |
Chemical Identifiers
| CAS Number | 1235478-04-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(=CN(C)C)C#N |
Product Overview
3-(Dimethylamino)-2-(2,2-dimethylpropanoyl)acrylonitrile (CAS 1235478-04-2), with molecular formula C10H16N2O and molecular weight 180.13 g/mol. IUPAC: 2-(dimethylaminomethylidene)-4,4-dimethyl-3-oxopentanenitrile.
Chemical Property Profile of 3-(Dimethylamino)-2-(2,2-dimethylpropanoyl)acrylonitrile
Property Insights of 3-(Dimethylamino)-2-(2,2-dimethylpropanoyl)acrylonitrile
The XLogP value of 1.57068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)-2-(2,2-dimethylpropanoyl)acrylonitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 3-(Dimethylamino)-2-(2,2-dimethylpropanoyl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-2-(2,2-dimethylpropanoyl)acrylonitrile 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 3-(Dimethylamino)-2-(2,2-dimethylpropanoyl)acrylonitrile?
The CAS number of 3-(Dimethylamino)-2-(2,2-dimethylpropanoyl)acrylonitrile is 1235478-04-2.
What is the molecular formula of 3-(Dimethylamino)-2-(2,2-dimethylpropanoyl)acrylonitrile?
The molecular formula of 3-(Dimethylamino)-2-(2,2-dimethylpropanoyl)acrylonitrile is C10H16N2O.
What is the molecular weight of 3-(Dimethylamino)-2-(2,2-dimethylpropanoyl)acrylonitrile?
The molecular weight of 3-(Dimethylamino)-2-(2,2-dimethylpropanoyl)acrylonitrile is 180.13 g/mol.
Where can I buy 3-(Dimethylamino)-2-(2,2-dimethylpropanoyl)acrylonitrile?
You can request a quote for 3-(Dimethylamino)-2-(2,2-dimethylpropanoyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)-2-(2,2-dimethylpropanoyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-2-(2,2-dimethylpropanoyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.