4-Methyl-gamma-(1-methylethoxy)benzenebutyronitrile

Base Information

• Chemical Name: 4-Methyl-gamma-(1-methylethoxy)benzenebutyronitrile
• CAS No.: 6965-79-3
• Molecular Formula: C14H19 N O
• Molecular Weight: 217.3068
• European Community (EC) Number: 230-174-5
• NSC Number: 63377
• DSSTox Substance ID: DTXSID80275936,DTXSID901243448
• Nikkaji Number: J266.011C
• Mol file: 6965-79-3.mol

Synonyms:6965-79-3;4-Methyl-gamma-(1-methylethoxy)benzenebutyronitrile;EINECS 230-174-5;4-Methyl-gamma-(1-methylethoxy)benzenebutanenitrile;4-(4-methylphenyl)-4-(propan-2-yloxy)butanenitrile;NSC63377;DTXSID80275936;DTXSID901243448;NSC 63377;NSC-63377;AKOS024323037;4-ISOPROPOXY-4-(P-TOLYL)-BUTYRONITRILE

Chemical Property of 4-Methyl-gamma-(1-methylethoxy)benzenebutyronitrile

Chemical Property:

• Boiling Point: 335.3°Cat760mmHg
• Flash Point: 141.5°C
• PSA: 33.02000
• Density: 0.979g/cm³
• LogP: 3.76488
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 217.146664230
• Heavy Atom Count: 16
• Complexity: 232

Purity/Quality:

4-ISOPROPOXY-4-(P-TOLYL)-BUTYRONITRILE AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(CCC#N)OC(C)C

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