tert-Butyl 3-isocyanopropionate

Base Information

• Chemical Name: tert-Butyl 3-isocyanopropionate
• CAS No.: 364046-20-8
• Molecular Formula: C8H13N1O2
• Molecular Weight: 155.19
• European Community (EC) Number: 634-858-8
• DSSTox Substance ID: DTXSID70377736
• Nikkaji Number: J1.684.990A
• Wikidata: Q82167072
• Mol file: 364046-20-8.mol

Synonyms:tert-butyl 3-isocyanopropionate

Chemical Property of tert-Butyl 3-isocyanopropionate

Chemical Property:

• PSA: 26.30000
• LogP: 0.86820
• Storage Temp.: −20°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 155.094628657
• Heavy Atom Count: 11
• Complexity: 182

Purity/Quality:

TERT-BUTYL 3-ISOCYANOPROPIONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-42
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)CC[N+]#[C-]