1-(3,4-Dimethoxyphenyl)cyclopropanecarbonitrile - CAS 20802-15-7
Catalog: |
BB016310 |
Product Name: |
1-(3,4-Dimethoxyphenyl)cyclopropanecarbonitrile |
CAS: |
20802-15-7 |
Synonyms: |
1-(3,4-dimethoxyphenyl)-1-cyclopropanecarbonitrile; 1-(3,4-dimethoxyphenyl)cyclopropane-1-carbonitrile |
IUPAC Name: | 1-(3,4-dimethoxyphenyl)cyclopropane-1-carbonitrile |
Description: | 1-(3,4-Dimethoxyphenyl)cyclopropanecarbonitrile (CAS# 20802-15-7) is a useful research chemical. |
Molecular Weight: | 203.24 |
Molecular Formula: | C12H13NO2 |
Canonical SMILES: | COC1=C(C=C(C=C1)C2(CC2)C#N)OC |
InChI: | InChI=1S/C12H13NO2/c1-14-10-4-3-9(7-11(10)15-2)12(8-13)5-6-12/h3-4,7H,5-6H2,1-2H3 |
InChI Key: | PZVYROVODMATJD-UHFFFAOYSA-N |
Boiling Point: | 346.3 ℃ at 760 mmHg |
Density: | 1.15 g/cm3 |
MDL: | MFCD01314306 |
LogP: | 2.25898 |
Publication Number | Title | Priority Date |
AU-2008220785-B2 | New use of glutaminyl cyclase inhibitors | 20070301 |
BR-PI0808170-A2 | Use of glutaminyl cyclase inhibitors | 20070301 |
EP-2117540-A1 | New use of glutaminyl cyclase inhibitors | 20070301 |
EP-2481408-A2 | New use of glutaminyl cyclase inhibitors | 20070301 |
JP-2010520168-A | New use of glutaminyl cyclase inhibitors | 20070301 |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.094628657 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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