3-(N-Nitrosomethylamino)propionaldehyde

Base Information

• Chemical Name: 3-(N-Nitrosomethylamino)propionaldehyde
• CAS No.: 85502-23-4
• Molecular Formula: C4H8N2O2
• Molecular Weight: 116.12
• UNII: X4C3WCP5XF
• DSSTox Substance ID: DTXSID501006062
• Nikkaji Number: J473.763F
• Wikidata: Q27156027
• Mol file: 85502-23-4.mol

Synonyms:3-(methylnitrosoamino)propanal;3-methylnitrosaminopropionaldehyde

Chemical Property of 3-(N-Nitrosomethylamino)propionaldehyde

Chemical Property:

• Vapor Pressure: 0.0149mmHg at 25°C
• Refractive Index: 1.469
• Boiling Point: 257.1 °C at 760 mmHg
• Flash Point: 109.3 °C
• PSA: 49.74000
• Density: 1.09 g/cm³
• LogP: 0.18860
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 116.058577502
• Heavy Atom Count: 8
• Complexity: 84.1

Purity/Quality:

99% ^*data from raw suppliers

3-(Methylnitrosamino)propanal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CCC=O)N=O
• Uses: 3-(Methylnitrosamine)propionaldehyde (MNPA) Nitrosoguvacoline (NG) and 3-(Methylnitrosamino)propionitrile (MNPN). 3-(Methylnitrosamine)propionaldehyde (MNPA) was detected for the 1st time in the saliva of betel quid chewers and is a potent carcinogen. It exhibits higher cytotoxicity than Nitrosoguvacine (NGC), Nitrosoguvacoline (NG) and 3-(Methylnitrosamino)propionitrile (MNPN).