3-(Ethylcarbamoyl)-1,2,2-trimethylcyclopentanecarboxylic acid
[CAS# 627844-39-7]

Identification

• Name: 3-(Ethylcarbamoyl)-1,2,2-trimethylcyclopentanecarboxylic acid
• Synonyms: 3-[(ethylamino)carbonyl]-1,2,2-trimethylcyclopentanecarboxylic acid; 3-[(Ethylamino)carbonyl]-1,2,2-trimethylcyclo-pentanecarboxylic acid
• Molecular Formula: C₁₂H₂₁NO₃
• Molecular Weight: 227.30
• CAS Registry Number: 627844-39-7
• SMILES: O=C(NCC)C1CCC(C(=O)O)(C)C1(C)C
• InChI: 1S/C12H21NO3/c1-5-13-9(14)8-6-7-12(4,10(15)16)11(8,2)3/h8H,5-7H2,1-4H3,(H,13,14)(H,15,16)
• InChIKey: KUBXPGRPHGZSAH-UHFFFAOYSA-N

Properties

• Density: 1.06g/cm³ (Cal.)
• Boiling point: 406.381°C at 760 mmHg (Cal.)
• Flash point: 199.572°C (Cal.)
• Refractive index: 1.477 (Cal.)