1-(4-Methylphenyl)cyclopropanecarbonitrile - CAS 71172-78-6
Catalog: |
BB034322 |
Product Name: |
1-(4-Methylphenyl)cyclopropanecarbonitrile |
CAS: |
71172-78-6 |
Synonyms: |
1-(4-methylphenyl)-1-cyclopropanecarbonitrile; 1-(4-methylphenyl)cyclopropane-1-carbonitrile |
IUPAC Name: | 1-(4-methylphenyl)cyclopropane-1-carbonitrile |
Description: | 1-(4-Methylphenyl)cyclopropanecarbonitrile (CAS# 71172-78-6 ) is a useful research chemical. |
Molecular Weight: | 157.21 |
Molecular Formula: | C11H11N |
Canonical SMILES: | CC1=CC=C(C=C1)C2(CC2)C#N |
InChI: | InChI=1S/C11H11N/c1-9-2-4-10(5-3-9)11(8-12)6-7-11/h2-5H,6-7H2,1H3 |
InChI Key: | NMDIWHQRZLXXNV-UHFFFAOYSA-N |
Boiling Point: | 293 °C at 760 mmHg |
Density: | 0.99 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD00065228 |
LogP: | 2.55018 |
Publication Number | Title | Priority Date |
US-2015344473-A1 | Tank-binding kinase inhibitor compounds | 20140603 |
EP-3105219-B1 | Cyclopropylamines as lsd1 inhibitors | 20140213 |
US-2015225379-A1 | Cyclopropylamines as lsd1 inhibitors | 20140213 |
US-2017112816-A1 | Cyclopropylamines as lsd1 inhibitors | 20140213 |
US-9493442-B2 | Cyclopropylamines as LSD1 inhibitors | 20140213 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.089149355 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.089149355 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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