cis-4-[(Methylcarbamoyl)amino]cyclohexanecarboxylic acid
[CAS# 80413-66-7]

Identification

• Name: cis-4-[(Methylcarbamoyl)amino]cyclohexanecarboxylic acid
• Synonyms: (1s,4s)-4-(3-methylureido)cyclohexanecarboxylic acid
• Molecular Formula: C₉H₁₆N₂O₃
• Molecular Weight: 200.23
• CAS Registry Number: 80413-66-7
• SMILES: CNC(=O)N[C@H]1CC[C@H](CC1)C(=O)O
• InChI: 1S/C9H16N2O3/c1-10-9(14)11-7-4-2-6(3-5-7)8(12)13/h6-7H,2-5H2,1H3,(H,12,13)(H2,10,11,14)/t6-,7+
• InChIKey: NYZLOLLWDWBYLG-KNVOCYPGSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 457.4±34.0°C at 760 mmHg (Cal.)
• Flash point: 230.4±25.7°C (Cal.)