[2-Nitro-2-(Phenylcarbamoyloxymethyl)Butyl] N-Phenylcarbamate
[CAS# 73972-42-6]

Identification

• Name: [2-Nitro-2-(Phenylcarbamoyloxymethyl)Butyl] N-Phenylcarbamate
• Synonyms: N-Phenylcarbamic Acid [2-Nitro-2-[[Oxo-(Phenylamino)Methoxy]Methyl]Butyl] Ester; N-Phenylcarbamic Acid [2-Nitro-2-(Phenylcarbamoyloxymethyl)Butyl] Ester; 1,3-Propanediol, 2-Ethyl-2-Nitro-, Dicarbanilate
• Molecular Formula: C₁₉H₂₁N₃O₆
• Molecular Weight: 387.39
• CAS Registry Number: 73972-42-6
• SMILES: C2=C(NC(OCC([N+]([O-])=O)(COC(=O)NC1=CC=CC=C1)CC)=O)C=CC=C2
• InChI: 1S/C19H21N3O6/c1-2-19(22(25)26,13-27-17(23)20-15-9-5-3-6-10-15)14-28-18(24)21-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,20,23)(H,21,24)
• InChIKey: UAWBYGNSXYRDMH-UHFFFAOYSA-N

Properties

• Density: 1.329g/cm³ (Cal.)
• Boiling point: 499.511°C at 760 mmHg (Cal.)
• Flash point: 255.895°C (Cal.)