ChemSpider 2D Image | (2E)-3-[(4-Anilinophenyl)amino]-2-(1H-tetrazol-5-yl)acrylonitrile | C16H13N7

(2E)-3-[(4-Anilinophenyl)amino]-2-(1H-tetrazol-5-yl)acrylonitrile

  • Molecular FormulaC16H13N7
  • Average mass303.321 Da
  • Monoisotopic mass303.123230 Da
  • ChemSpider ID24751950

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E)-3-[(4-Anilinophenyl)amino]-2-(1H-tetrazol-5-yl)acrylonitril [German] [ACD/IUPAC Name]
(2E)-3-[(4-Anilinophenyl)amino]-2-(1H-tetrazol-5-yl)acrylonitrile [ACD/IUPAC Name]
(2E)-3-[(4-Anilinophényl)amino]-2-(1H-tétrazol-5-yl)acrylonitrile [French] [ACD/IUPAC Name]
1H-Tetrazole-5-acetonitrile, α-[[[4-(phenylamino)phenyl]amino]methylene]-, (αE)- [ACD/Index Name]
(2E)-2-(1H-1,2,3,4-tetraazol-5-yl)-3-{[4-(phenylamino)phenyl]amino}prop-2-enenitrile
(2E)-3-{[4-(phenylamino)phenyl]amino}-2-(1H-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile
2-(2H-2,3,4,5-TETRAAZOLYL)-3-((4-(PHENYLAMINO)PHENYL)AMINO)PROP-2-ENENITRILE
683799-78-2 [RN]
MFCD00169983 [MDL number]
MS-11327

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 548.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.6±32.9 °C
Index of Refraction: 1.754
Molar Refractivity: 88.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.87
ACD/LogD (pH 7.4): -0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.81
Polar Surface Area: 102 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 82.7±3.0 dyne/cm
Molar Volume: 215.0±3.0 cm3

Click to predict properties on the Chemicalize site


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