Acrylonitrile, 3-(dimethylamino)-(7CI,8CI)
TL;DR: Acrylonitrile, 3-(dimethylamino)-(7CI,8CI) (CAS 35520-40-2) is a chemical compound with molecular formula C5H8N2 and molecular weight 96.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(dimethylamino)prop-2-enenitrile
Also Known As: N,N-Dimethylaminoacrylonitrile, 3-(Dimethylamino)acrylonitrile, 3-Dimethylaminoacrylonitrile, beta-(Dimethylamino)acrylonitrile, EINECS 219-305-7
| Molecular Formula | C5H8N2 |
|---|---|
| Molecular Weight | 96.07 g/mol |
| LogP | 0.58528 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 96.06875 |
| Heavy Atoms | 7 |
| Complexity | 97.13801 |
Chemical Identifiers
| CAS Number | 35520-40-2 |
|---|---|
| SMILES | CN(C)/C=C\C#N |
Product Overview
Acrylonitrile, 3-(dimethylamino)-(7CI,8CI) (CAS 35520-40-2), with molecular formula C5H8N2 and molecular weight 96.07 g/mol. IUPAC: (Z)-3-(dimethylamino)prop-2-enenitrile.
Chemical Property Profile of Acrylonitrile, 3-(dimethylamino)-(7CI,8CI)
Property Insights of Acrylonitrile, 3-(dimethylamino)-(7CI,8CI)
The XLogP value of 0.58528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acrylonitrile, 3-(dimethylamino)-(7CI,8CI). With a topological polar surface area (TPSA) of 27.03 Ų, Acrylonitrile, 3-(dimethylamino)-(7CI,8CI) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acrylonitrile, 3-(dimethylamino)-(7CI,8CI) 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 Acrylonitrile, 3-(dimethylamino)-(7CI,8CI)?
The CAS number of Acrylonitrile, 3-(dimethylamino)-(7CI,8CI) is 35520-40-2.
What is the molecular formula of Acrylonitrile, 3-(dimethylamino)-(7CI,8CI)?
The molecular formula of Acrylonitrile, 3-(dimethylamino)-(7CI,8CI) is C5H8N2.
What is the molecular weight of Acrylonitrile, 3-(dimethylamino)-(7CI,8CI)?
The molecular weight of Acrylonitrile, 3-(dimethylamino)-(7CI,8CI) is 96.07 g/mol.
Where can I buy Acrylonitrile, 3-(dimethylamino)-(7CI,8CI)?
You can request a quote for Acrylonitrile, 3-(dimethylamino)-(7CI,8CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acrylonitrile, 3-(dimethylamino)-(7CI,8CI)?
Yes, KEHONG BIO provides custom synthesis services for Acrylonitrile, 3-(dimethylamino)-(7CI,8CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.