2-Acetyl-1-cyano-1,2-dihydroisoquinoline

Base Information

• Chemical Name: 2-Acetyl-1-cyano-1,2-dihydroisoquinoline
• CAS No.: 29924-67-2
• Molecular Formula: C₁₂H₁₀N₂O
• Molecular Weight: 198.224
• NSC Number: 131493
• Nikkaji Number: J145.892B
• Mol file: 29924-67-2.mol

Synonyms:2-Acetyl-1-cyano-1,2-dihydroisoquinoline;29924-67-2;2-acetyl-1H-isoquinoline-1-carbonitrile;2-Acetyl-1,2-dihydroisoquinaldonitrile;2-Acetyl-1,2-dihydro-1-isoquinolinecarbonitrile;NSC131493;Isoquinaldonitrile, 2-acetyl-1,2-dihydro-;1-Isoquinolinecarbonitrile, 2-acetyl-1,2-dihydro-;Isoquinaldonitrile,2-dihydro-;SCHEMBL11285300;CJWDCOSZJPAVOA-UHFFFAOYSA-N;1-Isoquinolinecarbonitrile,2-dihydro-;AKOS004906931;NSC-131493;AE-017/30049010;2-Acetyl-1,2-dihydro-1-isoquinolinecarbonitrile #

Chemical Property of 2-Acetyl-1-cyano-1,2-dihydroisoquinoline

Chemical Property:

• Vapor Pressure: 5.52E-09mmHg at 25°C
• Melting Point: 119-121 °C
• Boiling Point: 469.4°Cat760mmHg
• PKA: -4.21±0.40(Predicted)
• Flash Point: 237.7°C
• PSA: 44.10000
• Density: 1.23g/cm³
• LogP: 2.02198
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 198.079312947
• Heavy Atom Count: 15
• Complexity: 339

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1C=CC2=CC=CC=C2C1C#N

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