Ethyl (3R,4R,5S)-4-Acetamido-5-Amino-3-(3-Pentanyloxy)-1-Cyclohexene-1-Carboxylate Hydrochloride (1:1)
[CAS# 204255-09-4]

Identification

• Name: Ethyl (3R,4R,5S)-4-Acetamido-5-Amino-3-(3-Pentanyloxy)-1-Cyclohexene-1-Carboxylate Hydrochloride (1:1)
• Molecular Formula: C₁₆H₂₉ClN₂O₄
• Molecular Weight: 348.87
• CAS Registry Number: 204255-09-4
• SMILES: Cl.O=C(OCC)/C1=C/[C@@H](OC(CC)CC)[C@H](NC(=O)C)[C@@H](N)C1
• InChI: 1S/C16H28N2O4.ClH/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19;/h9,12-15H,5-8,17H2,1-4H3,(H,18,19);1H/t13-,14+,15+;/m0./s1
• InChIKey: OHEGLAHLLCJYPX-ONAKXNSWSA-N

Properties

• Boiling point: 473.3°C at 760 mmHg (Cal.)
• Flash point: 240°C (Cal.)
• Refractive index: (Cal.)