alpha-Cyclohexyl-alpha-Hydroxy-Benzeneacetic Acid (1,4,5,6-Tetrahydro-1-Methyl-2-Pyrimidinyl)Methyl Ester Hydrochloride (1:1)
[CAS# 125-52-0]

Identification

• Classification: Analytical chemistry >> Standard >> Forensic and veterinary standards
• Name: alpha-Cyclohexyl-alpha-Hydroxy-Benzeneacetic Acid (1,4,5,6-Tetrahydro-1-Methyl-2-Pyrimidinyl)Methyl Ester Hydrochloride (1:1)
• Synonyms: (1-Methyl-5,6-Dihydro-4H-Pyrimidin-2-Yl)Methyl 2-Cyclohexyl-2-Hydroxy-2-Phenylacetate Hydrochloride; Hydron; (1-Methyl-5,6-Dihydro-4H-Pyrimidin-2-Yl)Methyl 2-Cyclohexyl-2-Hydroxy-2-Phenyl-Acetate; Chloride; (1-Methyl-5,6-Dihydro-4H-Pyrimidin-2-Yl)Methyl 2-Cyclohexyl-2-Hydroxy-2-Phenyl-Acetate Hydrochloride
• Molecular Formula: C₂₀H₂₉ClN₂O₃
• Molecular Weight: 380.91
• CAS Registry Number: 125-52-0
• EINECS: 204-742-8
• SMILES: [H+].C3=C(C(O)(C1CCCCC1)C(OCC2=NCCCN2C)=O)C=CC=C3.[Cl-]
• InChI: 1S/C20H28N2O3.ClH/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17;/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3;1H
• InChIKey: WXAYTPABEADAAB-UHFFFAOYSA-N

Properties

• Boiling point: 528.2°C at 760 mmHg (Cal.)
• Flash point: 273.2°C (Cal.)