N-[1,3-Dihydroxy-2-(Hydroxymethyl)Propan-2-Yl]Prop-2-Enamide, (1-Oxidopyridin-1-Ium-3-Yl) 3-[3-(Prop-2-Enoylamino)Propanoylamino]Propanoate, N-[(Prop-2-Enoylamino)Methyl]Prop-2-Enamide
[CAS# 73165-63-6]

Identification

• Name: N-[1,3-Dihydroxy-2-(Hydroxymethyl)Propan-2-Yl]Prop-2-Enamide, (1-Oxidopyridin-1-Ium-3-Yl) 3-[3-(Prop-2-Enoylamino)Propanoylamino]Propanoate, N-[(Prop-2-Enoylamino)Methyl]Prop-2-Enamide
• Synonyms: N-[2-Hydroxy-1,1-Bis(Hydroxymethyl)Ethyl]Prop-2-Enamide; (1-Oxidopyridin-1-Ium-3-Yl) 3-[3-(Prop-2-Enoylamino)Propanoylamino]Propanoate; N-[(Prop-2-Enoylamino)Methyl]Prop-2-Enamide; N-[2-Hydroxy-1,1-Bis(Hydroxymethyl)Ethyl]Prop-2-Enamide; 3-[[1-Oxo-3-(1-Oxoprop-2-Enylamino)Propyl]Amino]Propanoic Acid (1-Oxido-3-Pyridin-1-Iumyl) Ester; N-[(1-Oxoprop-2-Enylamino)Methyl]Prop-2-Enamide
• Molecular Formula: C₂₈H₄₀N₆O₁₁
• Molecular Weight: 636.66
• CAS Registry Number: 73165-63-6
• SMILES: C1=C(OC(CCNC(CCNC(C=C)=O)=O)=O)C=CC=[N+]1[O-].C(C(NC(C=C)=O)(CO)CO)O.C(NC(C=C)=O)NC(C=C)=O
• InChI: 1S/C14H17N3O5.C7H10N2O2.C7H13NO4/c1-2-12(18)15-7-5-13(19)16-8-6-14(20)22-11-4-3-9-17(21)10-11;1-3-6(10)8-5-9-7(11)4-2;1-2-6(12)8-7(3-9,4-10)5-11/h2-4,9-10H,1,5-8H2,(H,15,18)(H,16,19);3-4H,1-2,5H2,(H,8,10)(H,9,11);2,9-11H,1,3-5H2,(H,8,12)
• InChIKey: HRXXBOYJMNLORU-UHFFFAOYSA-N

Properties

• Boiling point: 728.9°C at 760 mmHg (Cal.)
• Flash point: 394.6°C (Cal.)