1-Butyl-4-isocyanobenzene

Base Information

• Chemical Name: 1-Butyl-4-isocyanobenzene
• CAS No.: 141399-15-7
• Molecular Formula: C11H13 N
• Molecular Weight: 159.231
• DSSTox Substance ID: DTXSID80398230
• Nikkaji Number: J1.097.614F
• Mol file: 141399-15-7.mol

Synonyms:1-butyl-4-isocyanobenzene;141399-15-7;Benzene, 1-butyl-4-isocyano- (9CI);Benzene,1-butyl-4-isocyano-;p-butylphenyl isocyanide;4-butylphenyl isocyanide;SCHEMBL7640662;DTXSID80398230;Benzene,1-butyl-4-isocyano-(9ci);EN300-1177149

Chemical Property of 1-Butyl-4-isocyanobenzene

Chemical Property:

• PSA: 0.00000
• LogP: 2.81070
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 159.104799419
• Heavy Atom Count: 12
• Complexity: 157

Purity/Quality:

1-BUTYL-4-ISOCYANO-BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)[N+]#[C-]