Product Name

  • Name

    7-Chloro-2-[[[(1S)-2,2-dimethylcyclopropyl]carbonyl]amino]-2-heptenoic acid

  • EINECS 618-065-4
  • CAS No. 877674-77-6
  • Article Data7
  • CAS DataBase
  • Density 1.189 g/cm3
  • Solubility
  • Melting Point
  • Formula C13H20ClNO3
  • Boiling Point 504.547 °C at 760 mmHg
  • Molecular Weight 273.76
  • Flash Point 258.941 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 877674-77-6 (7-Chloro-2-[[[(1S)-2,2-dimethylcyclopropyl]carbonyl]amino]-2-heptenoic acid)
  • Hazard Symbols
  • Synonyms CDCHA; (Z)-(S)-7-chloro-2-(2,2-dimethylcyclopropanecarboxamido)-2-heptenoic acid; 7-Chloro-2-[[[(1S)-2,2-dimethylcyclopropyl]carbonyl]amino]-2-heptenoic acid
  • PSA 69.89000
  • LogP 3.36660

7-Chloro-2-[[[(1S)-2,2-dimethylcyclopropyl]carbonyl]amino]-2-heptenoic acid Specification

The 7-Chloro-2-[[[(1S)-2,2-dimethylcyclopropyl]carbonyl]amino]-2-heptenoic acid, with the CAS registry number 877674-77-6, has the molecular formula C13H20ClNO3. In addition, this chemical's molecular weight is 273.76. Its systematic name is called (2Z)-7-chloro-2-{[(2,2-dimethylcyclopropyl)carbonyl]amino}hept-2-enoic acid.

Physical properties of 7-Chloro-2-[[[(1S)-2,2-dimethylcyclopropyl]carbonyl]amino]-2-heptenoic acid: (1)ACD/LogP: 1.90; (2)ACD/LogD (pH 5.5): 1; (3)ACD/BCF (pH 5.5): 3; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 32; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 7; (10)Index of Refraction: 1.521; (11)Molar Refractivity: 70.068 cm3; (12)Molar Volume: 230.186 cm3; (13)Surface Tension: 44.298 dyne/cm; (14)Density: 1.189 g/cm3; (15)Flash Point: 258.941 °C; (16)Enthalpy of Vaporization: 84.729 kJ/mol; (17)Boiling Point: 504.547 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N\C(=C/CCCCCl)C(=O)O)C1CC1(C)C
(2)InChI: InChI=1/C13H20ClNO3/c1-13(2)8-9(13)11(16)15-10(12(17)18)6-4-3-5-7-14/h6,9H,3-5,7-8H2,1-2H3,(H,15,16)(H,17,18)/b10-6-
(3)InChIKey: OTSSACCOAAGLRY-POHAHGREBP

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