Product Name

  • Name

    4-BOC-9-METHYL-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE

  • EINECS
  • CAS No. 886364-23-4
  • Density 1.072 g/cm3
  • Solubility
  • Melting Point
  • Formula C15H22N2O2
  • Boiling Point 386.5 °C at 760 mmHg
  • Molecular Weight 262.35
  • Flash Point 187.6 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 886364-23-4 (4-BOC-9-METHYL-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-9-methyl-, 1,1-dimethylethyl ester
  • PSA 41.57000
  • LogP 3.23350

4-Boc-9-Methyl-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-9-methyl-, 1,1-dimethylethyl ester, and its systematic name is tert-Butyl 9-methyl-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carboxylate. With the molecular formula of C15H22N2O2, its molecular weight is 262.35. The CAS registry number of this chemical is 886364-23-4.

Other characteristics of the 4H-1,4-Benzodiazepine-4-carboxylic acid, 1,2,3,5-tetrahydro-9-methyl-, 1,1-dimethylethyl ester can be summarised as followings: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.44; (4)ACD/LogD (pH 7.4): 2.47; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 41.57 Å2; (9)Index of Refraction: 1.525; (10)Molar Refractivity: 74.98 cm3; (11)Molar Volume: 244.5 cm3; (12)Polarizability: 29.72×10-24cm3; (13)Surface Tension: 38 dyne/cm; (14)Density: 1.072 g/cm3; (15)Flash Point: 187.6 °C; (16)Enthalpy of Vaporization: 63.55 kJ/mol; (17)Boiling Point: 386.5 °C at 760 mmHg; (18)Vapour Pressure: 3.52E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: CC(C)(C)OC(=O)N1Cc2cccc(C)c2NCC1
2.InChI: InChI=1/C15H22N2O2/c1-11-6-5-7-12-10-17(9-8-16-13(11)12)14(18)19-15(2,3)4/h5-7,16H,8-10H2,1-4H3
3.InChIKey: KRENOWDAKOGMIJ-UHFFFAOYAX

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