Methyl N-[2,5-Bis(Aziridin-1-Yl)-4-(Methoxycarbonylamino)-3,6-Dioxo-1-Cyclohexa-1,4-Dienyl]Carbamate
[CAS# 125659-89-4]

Identification

• Name: Methyl N-[2,5-Bis(Aziridin-1-Yl)-4-(Methoxycarbonylamino)-3,6-Dioxo-1-Cyclohexa-1,4-Dienyl]Carbamate
• Synonyms: N-[2,5-Bis(1-Aziridinyl)-4-(Methoxycarbonylamino)-3,6-Dioxo-1-Cyclohexa-1,4-Dienyl]Carbamic Acid Methyl Ester; N-[4-(Carbomethoxyamino)-2,5-Diethylenimino-3,6-Diketo-1-Cyclohexa-1,4-Dienyl]Carbamic Acid Methyl Ester; Carbamic Acid, [2,5-Bis(1-Aziridinyl)-3,6-Dioxo-1,4-Cyclohexadiene-1,4-Diyl]Bis-, Dimethyl Ester
• Molecular Formula: C₁₄H₁₆N₄O₆
• Molecular Weight: 336.30
• CAS Registry Number: 125659-89-4
• SMILES: COC(=O)NC3=C(N1CC1)C(=O)C(=C(N2CC2)C3=O)NC(OC)=O
• InChI: 1S/C14H16N4O6/c1-23-13(21)15-7-9(17-3-4-17)12(20)8(16-14(22)24-2)10(11(7)19)18-5-6-18/h3-6H2,1-2H3,(H,15,21)(H,16,22)
• InChIKey: TXIHYKAQJWLHOP-UHFFFAOYSA-N

Properties

• Density: 1.545g/cm³ (Cal.)
• Boiling point: 446.513°C at 760 mmHg (Cal.)
• Flash point: 223.843°C (Cal.)