Propyl N-[2,5-Bis(Aziridin-1-Yl)-3,6-Dioxo-4-(Propoxycarbonylamino)-1-Cyclohexa-1,4-Dienyl]Carbamate
[CAS# 125659-90-7]

Identification

• Name: Propyl N-[2,5-Bis(Aziridin-1-Yl)-3,6-Dioxo-4-(Propoxycarbonylamino)-1-Cyclohexa-1,4-Dienyl]Carbamate
• Synonyms: N-[2,5-Bis(1-Aziridinyl)-3,6-Dioxo-4-[(Oxo-Propoxymethyl)Amino]-1-Cyclohexa-1,4-Dienyl]Carbamic Acid Propyl Ester; N-[2,5-Diethylenimino-3,6-Diketo-4-(Propoxycarbonylamino)-1-Cyclohexa-1,4-Dienyl]Carbamic Acid Propyl Ester; (2,5-Bis(1-Aziridinyl)-3,6-Dioxo-1,4-Cyclohexadiene-1,4-Diyl)Biscarbamic Acid, Dipropyl Ester
• Molecular Formula: C₁₈H₂₄N₄O₆
• Molecular Weight: 392.41
• CAS Registry Number: 125659-90-7
• SMILES: C(OC(NC1=C(C(C(=C(C1=O)N2CC2)NC(=O)OCCC)=O)N3CC3)=O)CC
• InChI: 1S/C18H24N4O6/c1-3-9-27-17(25)19-11-13(21-5-6-21)16(24)12(20-18(26)28-10-4-2)14(15(11)23)22-7-8-22/h3-10H2,1-2H3,(H,19,25)(H,20,26)
• InChIKey: NZGZATAQMWPGSL-UHFFFAOYSA-N

Properties

• Density: 1.39g/cm³ (Cal.)
• Boiling point: 491.647°C at 760 mmHg (Cal.)
• Flash point: 251.139°C (Cal.)