Barbexaclone
[CAS# 4388-82-3]

Identification

• Name: Barbexaclone
• Synonyms: (2S)-1-Cyclohexyl-N-Methyl-Propan-2-Amine; 5-Ethyl-5-Phenyl-Hexahydropyrimidine-2,4,6-Trione; (2S)-1-Cyclohexyl-N-Methylpropan-2-Amine; 5-Ethyl-5-Phenylhexahydropyrimidine-2,4,6-Trione; [(1S)-2-Cyclohexyl-1-Methyl-Ethyl]-Methyl-Amine; 5-Ethyl-5-Phenyl-Barbituric Acid
• Molecular Formula: C₂₂H₃₃N₃O₃
• Molecular Weight: 387.52
• CAS Registry Number: 4388-82-3
• EINECS: 224-504-7
• SMILES: [C@@H](NC)(CC1CCCCC1)C.C3=C(C2(C(=O)NC(=O)NC2=O)CC)C=CC=C3
• InChI: 1S/C12H12N2O3.C10H21N/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-9(11-2)8-10-6-4-3-5-7-10/h3-7H,2H2,1H3,(H2,13,14,15,16,17);9-11H,3-8H2,1-2H3/t;9-/m.0/s1
• InChIKey: MJCBWPMBFCUHBP-NPULLEENSA-N

Properties

• Boiling point: 508.2°C at 760 mmHg (Cal.)
• Flash point: 139.1°C (Cal.)