Product Name

  • Name

    4-(6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL)-PHENYLAMINE

  • EINECS
  • CAS No. 109220-81-7
  • Density 1.31 g/cm3
  • Solubility
  • Melting Point
  • Formula C13H16N4
  • Boiling Point 474.2 °C at 760 mmHg
  • Molecular Weight 228.297
  • Flash Point 240.6 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 109220-81-7 (4-(6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL)-PHENYLAMINE)
  • Hazard Symbols
  • Synonyms 5H-s-Triazolo[4,3-a]azepine,3-(p-aminophenyl)-6,7,8,9-tetrahydro- (6CI);4-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline;4-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-phenylamine;
  • PSA 56.73000
  • LogP 2.83490

Benzenamine,4-(6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-a]azepin-3-yl)- Specification

The Benzenamine,4-(6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-a]azepin-3-yl)-, with the CAS registry number 109220-81-7, is also known as 4-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-phenylamine. This chemical's molecular formula is C13H16N4 and molecular weight is 228.29. What's more, its systematic name is 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline.

Physical properties of Benzenamine,4-(6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-a]azepin-3-yl)- are: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 33.95 Å2; (7)Index of Refraction: 1.697; (8)Molar Refractivity: 66.78 cm3; (9)Molar Volume: 173.3 cm3; (10)Surface Tension: 55.2 dyne/cm; (11)Density: 1.31 g/cm3; (12)Flash Point: 240.6 °C; (13)Enthalpy of Vaporization: 73.74 kJ/mol; (14)Boiling Point: 474.2 °C at 760 mmHg; (15)Vapour Pressure: 3.7E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)N
(2)InChI: InChI=1S/C13H16N4/c14-11-7-5-10(6-8-11)13-16-15-12-4-2-1-3-9-17(12)13/h5-8H,1-4,9,14H2
(3)InChIKey: IDZQVFCQHCCFCF-UHFFFAOYSA-N

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