3-(Dimethylamino)-2-phenylacrylonitrile
TL;DR: 3-(Dimethylamino)-2-phenylacrylonitrile (CAS 18226-50-1) is a chemical compound with molecular formula C11H12N2 and molecular weight 172.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-2-phenylprop-2-enenitrile
Also Known As: 3-(dimethylamino)-2-phenylacrylonitrile, 3-(dimethylamino)-2-phenylprop-2-enenitrile, (2z)-3-(dimethylamino)-2-phenylprop-2-enenitrile, 3-(dimethylamino)-2-phenyl-prop-2-enenitrile, 1-cyano-1-phenyl-2-(N,N-dimethylamino)ethene
| Molecular Formula | C11H12N2 |
|---|---|
| Molecular Weight | 172.10 g/mol |
| LogP | 2.11268 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.10005 |
| Heavy Atoms | 13 |
| Complexity | 330.85794 |
Chemical Identifiers
| CAS Number | 18226-50-1 |
|---|---|
| SMILES | CN(C)C=C(C#N)C1=CC=CC=C1 |
Product Overview
3-(Dimethylamino)-2-phenylacrylonitrile (CAS 18226-50-1), with molecular formula C11H12N2 and molecular weight 172.10 g/mol. IUPAC: 3-(dimethylamino)-2-phenylprop-2-enenitrile.
Chemical Property Profile of 3-(Dimethylamino)-2-phenylacrylonitrile
Property Insights of 3-(Dimethylamino)-2-phenylacrylonitrile
The XLogP value of 2.11268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)-2-phenylacrylonitrile. With a topological polar surface area (TPSA) of 27.03 Ų, 3-(Dimethylamino)-2-phenylacrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-2-phenylacrylonitrile has 0 hydrogen bond donor(s) and 2 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-phenylacrylonitrile?
The CAS number of 3-(Dimethylamino)-2-phenylacrylonitrile is 18226-50-1.
What is the molecular formula of 3-(Dimethylamino)-2-phenylacrylonitrile?
The molecular formula of 3-(Dimethylamino)-2-phenylacrylonitrile is C11H12N2.
What is the molecular weight of 3-(Dimethylamino)-2-phenylacrylonitrile?
The molecular weight of 3-(Dimethylamino)-2-phenylacrylonitrile is 172.10 g/mol.
Where can I buy 3-(Dimethylamino)-2-phenylacrylonitrile?
You can request a quote for 3-(Dimethylamino)-2-phenylacrylonitrile 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-phenylacrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-2-phenylacrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.