Product Name

  • Name

    4-BOC-7-HYDROXY-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE

  • EINECS
  • CAS No. 886364-39-2
  • Density 1.165 g/cm3
  • Solubility
  • Melting Point
  • Formula C14H20N2O3
  • Boiling Point 439.7 °C at 760 mmHg
  • Molecular Weight 264.3202
  • Flash Point 219.7 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 886364-39-2 (4-BOC-7-HYDROXY-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE)
  • Hazard Symbols
  • Synonyms 4H-1,4-Benzodiazepine-4-carboxylic acid, 1,2,3,5-tetrahydro-7-hydroxy-, 1,1-dimethylethyl ester
  • PSA 61.80000
  • LogP 2.63070

4-Boc-7-Hydroxy-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine Specification

This chemical is called 4H-1,4-Benzodiazepine-4-carboxylic acid, 1,2,3,5-tetrahydro-7-hydroxy-, 1,1-dimethylethyl ester, and its systematic name is tert-butyl 7-hydroxy-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate. With the molecular formula of C14H20N2O3, its molecular weight is 264.3202. The CAS registry number of this chemical is 886364-39-2.

Other characteristics of the 4H-1,4-Benzodiazepine-4-carboxylic acid, 1,2,3,5-tetrahydro-7-hydroxy-, 1,1-dimethylethyl ester can be summarised as followings: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.26 ; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 61.8 Å2; (9)Index of Refraction: 1.548; (10)Molar Refractivity: 72.03 cm3; (11)Molar Volume: 226.7 cm3; (12)Polarizability: 28.55×10-24cm3; (13)Surface Tension: 44.1 dyne/cm; (14)Density: 1.165 g/cm3; (15)Flash Point: 219.7 °C; (16)Enthalpy of Vaporization: 72.36 kJ/mol; (17)Boiling Point: 439.7 °C at 760 mmHg; (18)Vapour Pressure: 2.42E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: CC(C)(C)OC(=O)N1Cc2cc(O)ccc2NCC1
2.InChI: InChI=1/C14H20N2O3/c1-14(2,3)19-13(18)16-7-6-15-12-5-4-11(17)8-10(12)9-16/h4-5,8,15,17H,6-7,9H2,1-3H3
3.InChIKey: FYILRTSVQZCYTE-UHFFFAOYAA

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