3,4-Dimethoxycinnamonitrile, predominantly trans - CAS 6443-72-7
Catalog: |
BB032471 |
Product Name: |
3,4-Dimethoxycinnamonitrile, predominantly trans |
CAS: |
6443-72-7 |
Synonyms: |
(E)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile |
IUPAC Name: | (E)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile |
Description: | 3,4-Dimethoxycinnamonitrile, predominantly trans (CAS# 6443-72-7) is a useful research chemical compound. |
Molecular Weight: | 189.21 |
Molecular Formula: | C11H11NO2 |
Canonical SMILES: | COC1=C(C=C(C=C1)C=CC#N)OC |
InChI: | InChI=1S/C11H11NO2/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h3-6,8H,1-2H3/b4-3+ |
InChI Key: | WGPTVEZJYRFEGT-ONEGZZNKSA-N |
Boiling Point: | 317 °C |
Density: | 1.101 g/cm3 |
MDL: | MFCD00001931 |
LogP: | 2.24058 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2013245452-A1 | New process for the synthesis of (2E)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile, and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid | 20121108 |
AU-2013245452-B2 | New process for the synthesis of (2E)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile, and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid | 20121108 |
AU-2013245452-C1 | New process for the synthesis of (2E)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile, and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid | 20121108 |
CA-2831289-A1 | New process for the synthesis of (2e)-3(3,4-dimethoxyphenyl)prop-2-enenitrile, and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid | 20121108 |
CA-2831289-C | New process for the synthesis of (2e)-3(3,4-dimethoxyphenyl)prop-2-enenitrile, and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid | 20121108 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 189.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.078978594 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS