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2-Methyl-[1,4]diazepane

  • Name 2-Methyl-[1,4]diazepane
  • EINECSN/A
  • CAS No. 65974-17-6
  • Density0.838 g/cm3
  • PSA24.06000
  • LogP0.61540
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC6H14N2
  • Boiling Point174.5 °C at 760 mmHg
  • Molecular Weight114.191
  • Flash Point61.5 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 65974-17-6 (2-Methyl-[1,4]diazepane)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data4

2-Methyl-[1,4]diazepane Specification

The 2-Methyl-[1,4]diazepane, with the CAS registry number 65974-17-6, is also called 1H-1,4-diazepine, hexahydro-2-methyl-. It belongs to the product category of Pharmacetical, and should be stored at dry and cool environment. And the molecular formula of the chemical is C6H14N2.

The characteristics of 2-Methyl-[1,4]diazepane are as followings: (1)ACD/LogP: 0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 24.06 Å2; (11)Index of Refraction: 1.419; (12)Molar Refractivity: 34.46 cm3; (13)Molar Volume: 136.2 cm3; (14)Polarizability: 13.66×10-24cm3; (15)Surface Tension: 25.1 dyne/cm; (16)Density: 0.838 g/cm3; (17)Flash Point: 61.5 °C; (18)Enthalpy of Vaporization: 41.08 kJ/mol; (19)Boiling Point: 174.5 °C at 760 mmHg; (20)Vapour Pressure: 1.2 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC1CNCCCN1
(2)InChI: InChI=1/C6H14N2/c1-6-5-7-3-2-4-8-6/h6-8H,2-5H2,1H3
(3)InChIKey: KMRLPKVQSAHVSQ-UHFFFAOYAR

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