Product Name

  • Name

    (R)-[1-(4-Bromophenyl)ethyl]carbamic acid tert-butyl ester

  • EINECS
  • CAS No. 578729-21-2
  • Article Data10
  • CAS DataBase
  • Density 1.282 g/cm3
  • Solubility
  • Melting Point 131-135 ºC
  • Formula C13H18BrNO2
  • Boiling Point 383.1 °C at 760 mmHg
  • Molecular Weight 300.195
  • Flash Point 185.5 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 578729-21-2 ((R)-[1-(4-Bromophenyl)ethyl]carbamic acid tert-butyl ester)
  • Hazard Symbols
  • Synonyms Carbamicacid, [(1R)-1-(4-bromophenyl)ethyl]-, 1,1-dimethylethyl ester (9CI);[(R)-1-(4-Bromophenyl)ethyl]carbamicacid tert-butyl ester;tert-Butyl [(1R)-1-(4-bromophenyl)ethyl]carbamate;
  • PSA 38.33000
  • LogP 4.42570

tert-Butyl [(1R)-1-(4-bromophenyl)ethyl]carbamate Specification

The cas register number of tert-Butyl [(1R)-1-(4-bromophenyl)ethyl]carbamate is 578729-21-2. It also can be called as carbamic acid, N-[(1R)-1-(4-bromophenyl)ethyl]-, 1,1-dimethylethyl ester and the Systematic name about this chemical is tert-Butyl N-[1-(4-bromophenyl)ethyl]carbamate.

Physical properties about tert-Butyl [(1R)-1-(4-bromophenyl)ethyl]carbamate are: (1)ACD/LogP: 4.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.01; (4)ACD/LogD (pH 7.4): 4.01; (5)ACD/BCF (pH 5.5): 658.43; (6)ACD/BCF (pH 7.4): 658.41; (7)ACD/KOC (pH 5.5): 3623.17; (8)ACD/KOC (pH 7.4): 3623.07; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.33Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 71.99 cm3; (15)Molar Volume: 234 cm3; (16)Surface Tension: 37.6 dyne/cm; (17)Density: 1.282 g/cm3; (18)Flash Point: 185.5 °C; (19)Enthalpy of Vaporization: 63.16 kJ/mol; (20)Boiling Point: 383.1 °C at 760 mmHg; (21)Vapour Pressure: 4.5E-06 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: C[C@H](c1ccc(cc1)Br)NC(=O)OC(C)(C)C
2.InChI: InChI=1/C13H18BrNO2/c1-9(10-5-7-11(14)8-6-10)15-12(16)17-13(2,3)4/h5-9H,1-4H3,(H,15,16)/t9-/m1/s1 
3.InChIKey: KECPRZHCNCDSET-SECBINFHBZ
4.Std. InChI: InChI=1S/C13H18BrNO2/c1-9(10-5-7-11(14)8-6-10)15-12(16)17-13(2,3)4/h5-9H,1-4H3,(H,15,16)/t9-/m1/s1

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