3-(Methylnitrosoamino)-1-Propanol 4-Methylbenzenesulfonate (Ester)
[CAS# 66398-65-0]

Identification

• Name: 3-(Methylnitrosoamino)-1-Propanol 4-Methylbenzenesulfonate (Ester)
• Synonyms: 3-(Methyl-Nitroso-Amino)Propyl 4-Methylbenzenesulfonate; 4-Methylbenzenesulfonic Acid 3-(Methyl-Nitrosoamino)Propyl Ester; 4-Methylbenzenesulfonic Acid 3-(Methyl-Nitroso-Amino)Propyl Ester
• Molecular Formula: C₁₁H₁₆N₂O₄S
• Molecular Weight: 272.32
• CAS Registry Number: 66398-65-0
• SMILES: C1=CC(=CC=C1[S](=O)(=O)OCCCN(N=O)C)C
• InChI: 1S/C11H16N2O4S/c1-10-4-6-11(7-5-10)18(15,16)17-9-3-8-13(2)12-14/h4-7H,3,8-9H2,1-2H3
• InChIKey: COCFCYNGJGKXSR-UHFFFAOYSA-N

Properties

• Density: 1.243g/cm³ (Cal.)
• Boiling point: 470.636°C at 760 mmHg (Cal.)
• Flash point: 238.432°C (Cal.)