1,1-Dimethoxy-3-nitropropane

Base Information

• Chemical Name: 1,1-Dimethoxy-3-nitropropane
• CAS No.: 72447-81-5
• Molecular Formula: C5H11NO4
• Molecular Weight: 149.14500
• DSSTox Substance ID: DTXSID80406743
• Nikkaji Number: J1.432.294I
• Wikidata: Q72468162
• Mol file: 72447-81-5.mol

Synonyms:1,1-dimethoxy-3-nitropropane;72447-81-5;3-nitropropanal dimethyl acetal;LISSAMINEGREENB;SCHEMBL4759063;DTXSID80406743;MOKDVDXMMSCFHC-UHFFFAOYSA-N;MFCD00040625;AKOS005601143;SY266528;CS-0287393;FT-0761658;EN300-1738111

Chemical Property of 1,1-Dimethoxy-3-nitropropane

Chemical Property:

• Vapor Pressure: 0.344mmHg at 25°C
• Boiling Point: 199.3oC at 760 mmHg
• PKA: 8.47±0.58(Predicted)
• Flash Point: 84.8oC
• PSA: 64.28000
• Density: 1.089g/cm3
• LogP: 0.79530
• Storage Temp.: Store below +30°C.
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 149.06880783
• Heavy Atom Count: 10
• Complexity: 96.3

Purity/Quality:

98%min ^*data from raw suppliers

1,1-Dimethoxy-3-nitropropane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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