(3S)-3-isocyano-2,2-dimethylbutane

Base Information

• Chemical Name: (3S)-3-isocyano-2,2-dimethylbutane
• CAS No.: 438186-75-5
• Molecular Formula: C7H13N
• Molecular Weight: 111.18
• DSSTox Substance ID: DTXSID90374388
• Nikkaji Number: J1.685.740H
• Wikidata: Q82162959
• Mol file: 438186-75-5.mol

Synonyms:438186-75-5;(3S)-3-isocyano-2,2-dimethylbutane;(S)-3,3-Dimethylbuty-2-ylisocyanide;DTXSID90374388;(s)-3,3-dimethylbut-2-yl-isocyanide;AKOS006295164;[(1S)-1,2,2-Trimethylpropyl] isocyanide

Chemical Property of (3S)-3-isocyano-2,2-dimethylbutane

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 111.104799419
• Heavy Atom Count: 8
• Complexity: 110

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(C)(C)C)[N+]#[C-]
• Isomeric SMILES: C[C@@H](C(C)(C)C)[N+]#[C-]