N-(2-(3-Phenethylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate
[CAS# 77869-81-9]

Identification

• Name: N-(2-(3-Phenethylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate
• Synonyms: Oxalic Acid; N-Phenyl-N-[2-[3-(2-Phenylethyl)Hexahydropyrimidin-1-Yl]Ethyl]Propanamide; Oxalic Acid; N-Phenyl-N-[2-[3-(2-Phenylethyl)-1-Hexahydropyrimidinyl]Ethyl]Propanamide; Oxalic Acid; N-Phenyl-N-[2-[3-(2-Phenylethyl)Hexahydropyrimidin-1-Yl]Ethyl]Propionamide
• Molecular Formula: C₂₇H₃₅N₃O₉
• Molecular Weight: 545.59
• CAS Registry Number: 77869-81-9
• SMILES: C3=C(N(C(=O)CC)CCN1CN(CCC1)CCC2=CC=CC=C2)C=CC=C3.O=C(O)C(=O)O.O=C(O)C(=O)O
• InChI: 1S/C23H31N3O.2C2H2O4/c1-2-23(27)26(22-12-7-4-8-13-22)19-18-25-16-9-15-24(20-25)17-14-21-10-5-3-6-11-21;2*3-1(4)2(5)6/h3-8,10-13H,2,9,14-20H2,1H3;2*(H,3,4)(H,5,6)
• InChIKey: MTMHDRIBLNITRT-UHFFFAOYSA-N

Properties

• Boiling point: 499.7°C at 760 mmHg (Cal.)
• Flash point: 198.7°C (Cal.)