cis-4-dimethylaminocinnamonitrile (contains ca. 15% trans-isomer)
TL;DR: cis-4-dimethylaminocinnamonitrile (contains ca. 15% trans-isomer) (CAS 31145-02-5) 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.
(Z)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
Also Known As: cis-4-Dimethylaminocinnamonitrile, (Z)-p-(Dimethylamino)cinnamonitrile, (Z)-3-(4-(Dimethylamino)phenyl)acrylonitrile, (Z)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile, (Z)-3-(4-dimethylaminophenyl)prop-2-enenitrile
| Molecular Formula | C11H12N2 |
|---|---|
| Molecular Weight | 172.10 g/mol |
| LogP | 2.28938 |
| 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 | 328.10306 |
Chemical Identifiers
| CAS Number | 31145-02-5 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=C\C#N |
Product Overview
cis-4-dimethylaminocinnamonitrile (contains ca. 15% trans-isomer) (CAS 31145-02-5), with molecular formula C11H12N2 and molecular weight 172.10 g/mol. IUPAC: (Z)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile.
Chemical Property Profile of cis-4-dimethylaminocinnamonitrile (contains ca. 15% trans-isomer)
Property Insights of cis-4-dimethylaminocinnamonitrile (contains ca. 15% trans-isomer)
The XLogP value of 2.28938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-4-dimethylaminocinnamonitrile (contains ca. 15% trans-isomer). With a topological polar surface area (TPSA) of 27.03 Ų, cis-4-dimethylaminocinnamonitrile (contains ca. 15% trans-isomer) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-4-dimethylaminocinnamonitrile (contains ca. 15% trans-isomer) 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 cis-4-dimethylaminocinnamonitrile (contains ca. 15% trans-isomer)?
The CAS number of cis-4-dimethylaminocinnamonitrile (contains ca. 15% trans-isomer) is 31145-02-5.
What is the molecular formula of cis-4-dimethylaminocinnamonitrile (contains ca. 15% trans-isomer)?
The molecular formula of cis-4-dimethylaminocinnamonitrile (contains ca. 15% trans-isomer) is C11H12N2.
What is the molecular weight of cis-4-dimethylaminocinnamonitrile (contains ca. 15% trans-isomer)?
The molecular weight of cis-4-dimethylaminocinnamonitrile (contains ca. 15% trans-isomer) is 172.10 g/mol.
Where can I buy cis-4-dimethylaminocinnamonitrile (contains ca. 15% trans-isomer)?
You can request a quote for cis-4-dimethylaminocinnamonitrile (contains ca. 15% trans-isomer) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-4-dimethylaminocinnamonitrile (contains ca. 15% trans-isomer)?
Yes, KEHONG BIO provides custom synthesis services for cis-4-dimethylaminocinnamonitrile (contains ca. 15% trans-isomer) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.