Product Name

  • Name

    (3-HYDROXY-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER

  • EINECS
  • CAS No. 610302-03-9
  • Article Data4
  • CAS DataBase
  • Density 1.06 g/cm3
  • Solubility
  • Melting Point
  • Formula C11H21NO3
  • Boiling Point 337.7 °C at 760 mmHg
  • Molecular Weight 215.293
  • Flash Point 158 °C
  • Transport Information
  • Appearance
  • Safety 60-61
  • Risk Codes 22-50/53
  • Molecular Structure Molecular Structure of 610302-03-9 ((3-HYDROXY-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER)
  • Hazard Symbols Xn,N
  • Synonyms TERT-BUTYL 3-HYDROXYCYCLOHEXYL CARBAMATE;(3-HYDROXY-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER;3-N-BOC-AMINO-CYCLOHEXANOL;Carbamic acid, (3-hydroxycyclohexyl)-, 1,1-dimethylethyl ester (9CI);5-amino-2-methylpyridine-3-carboxylic acid;1-N-Boc aminocyclohexan-3-ol;cis-1-N-Boc-3-hydroxy-cyclohexylamine(racemic);trans-1-N-Boc-3-hydroxy-cyclohexylamine (racemic)
  • PSA 58.56000
  • LogP 2.20550

(3-Hydroxycyclohexyl)carbamic acid tert-butyl ester Specification

This chemical is called Carbamic acid, (3-hydroxycyclohexyl)-, 1,1-dimethylethyl ester, and its systematic name is tert-butyl (3-hydroxycyclohexyl)carbamate. With the molecular formula of C11H21NO3, its molecular weight is 215.29. The CAS registry number of this chemical is 610302-03-9. Additionally, its product categories are N-BOC; Pharmacetical. 

Other characteristics of the Carbamic acid, (3-hydroxycyclohexyl)-, 1,1-dimethylethyl ester can be summarised as followings: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 1.43; (5)ACD/BCF (pH 5.5): 7.17; (6)ACD/BCF (pH 7.4): 7.17; (7)ACD/KOC (pH 5.5): 142.57; (8)ACD/KOC (pH 7.4): 142.56; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 58.56 Å2; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 57.93 cm3; (15)Molar Volume: 201.9 cm3; (16)Polarizability: 22.96×10-24cm3; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 1.06 g/cm3; (19)Flash Point: 158 °C; (20)Enthalpy of Vaporization: 67.31 kJ/mol; (21)Boiling Point: 337.7 °C at 760 mmHg; (22)Vapour Pressure: 7.02E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: OC1CCCC(NC(=O)OC(C)(C)C)C1
2.InChI: InChI=1/C11H21NO3/c1-11(2,3)15-10(14)12-8-5-4-6-9(13)7-8/h8-9,13H,4-7H2,1-3H3,(H,12,14)
3.InChIKey: IUKYKMHCKDLTJC-UHFFFAOYAU

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