Product Name

  • Name

    Carbamic acid, [(1R,3S)-3-hydroxycyclopentyl]-, 1,1-dimethylethyl ester (9CI)

  • EINECS
  • CAS No. 225641-84-9
  • Article Data3
  • CAS DataBase
  • Density 1.08g/cm3
  • Solubility
  • Melting Point
  • Formula C10H19NO3
  • Boiling Point 320.8 °C at 760 mmHg
  • Molecular Weight 201.266
  • Flash Point 147.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 225641-84-9 (Carbamic acid, [(1R,3S)-3-hydroxycyclopentyl]-, 1,1-dimethylethyl ester (9CI))
  • Hazard Symbols
  • Synonyms Carbamicacid, [(1R,3S)-3-hydroxycyclopentyl]-, 1,1-dimethylethyl ester (9CI);2-Methyl-2-propanyl [(1R,3S)-3-hydroxycyclopentyl]carbamate;
  • PSA 58.56000
  • LogP 1.81540

[(1R,3S)-3-Hydroxycyclopentyl]carbamic acid tert-butyl ester Specification

The [(1R,3S)-3-Hydroxycyclopentyl]carbamic acid tert-butyl ester with the cas number 225641-84-9 is also called 2-Methyl-2-propanyl [(1R,3S)-3-hydroxycyclopentyl]carbamate. Its molecular formula is C10H19NO3. The product's category is N-BOC. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): 0.86; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 58.56Å2; (9)Index of Refraction: 1.486; (10)Molar Refractivity: 53.3 cm3; (11)Molar Volume: 185.6 cm3; (12)Polarizability: 21.13×10-24cm3; (13)Surface Tension: 39 dyne/cm; (14)Enthalpy of Vaporization: 65.21 kJ/mol; (15)Vapour Pressure: 2.5×10-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)NC1CCC(C1)O
(2)InChI: InChI=1/C10H19NO3/c1-10(2,3)14-9(13)11-7-4-5-8(12)6-7/h7-8,12H,4-6H2,1-3H3,(H,11,13)/t7-,8+/m1/s1
(3)InChIKey: SBUKINULYZANSP-SFYZADRCBC

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