1-(3,4-Dimethoxyphenyl)cyclobutanecarbonitrile - CAS 147406-21-1
Catalog: |
BB010196 |
Product Name: |
1-(3,4-Dimethoxyphenyl)cyclobutanecarbonitrile |
CAS: |
147406-21-1 |
Synonyms: |
1-(3,4-dimethoxyphenyl)-1-cyclobutanecarbonitrile; 1-(3,4-dimethoxyphenyl)cyclobutane-1-carbonitrile |
IUPAC Name: | 1-(3,4-dimethoxyphenyl)cyclobutane-1-carbonitrile |
Description: | 1-(3,4-Dimethoxyphenyl)cyclobutanecarbonitrile (CAS# 147406-21-1 ) is a useful research chemical. |
Molecular Weight: | 217.26 |
Molecular Formula: | C13H15NO2 |
Canonical SMILES: | COC1=C(C=C(C=C1)C2(CCC2)C#N)OC |
InChI: | InChI=1S/C13H15NO2/c1-15-11-5-4-10(8-12(11)16-2)13(9-14)6-3-7-13/h4-5,8H,3,6-7H2,1-2H3 |
InChI Key: | CNIUDDCUDAJTLE-UHFFFAOYSA-N |
LogP: | 2.64908 |
Publication Number | Title | Priority Date |
EP-2162438-A2 | Process for the preparation of ivabradine hydrochloride and polymorph thereof | 20070530 |
WO-2008146308-A2 | Process for the preparation of ivabradine hydrochloride and polymorph thereof | 20070530 |
WO-2008146308-A9 | Process for the preparation of ivabradine hydrochloride and polymorph thereof | 20070530 |
US-5296482-A | (Benzocycloalkyl) alkylamines | 19910927 |
CA-2074062-A1 | Dithiane | 19910718 |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.110278721 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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