ChemSpider 2D Image | (3S)-1-(5-Amino-1,3,4-thiadiazol-2-yl)-N,N-dimethyl-3-azepanamine | C10H19N5S

(3S)-1-(5-Amino-1,3,4-thiadiazol-2-yl)-N,N-dimethyl-3-azepanamine

  • Molecular FormulaC10H19N5S
  • Average mass241.356 Da
  • Monoisotopic mass241.136108 Da
  • ChemSpider ID84393379

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1-(5-Amino-1,3,4-thiadiazol-2-yl)-N,N-dimethyl-3-azepanamin [German] [ACD/IUPAC Name]
(3S)-1-(5-Amino-1,3,4-thiadiazol-2-yl)-N,N-dimethyl-3-azepanamine [ACD/IUPAC Name]
(3S)-1-(5-Amino-1,3,4-thiadiazol-2-yl)-N,N-diméthyl-3-azépanamine [French] [ACD/IUPAC Name]
1H-Azepin-3-amine, 1-(5-amino-1,3,4-thiadiazol-2-yl)hexahydro-N,N-dimethyl-, (3S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 393.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.3±3.0 kJ/mol
Flash Point: 191.5±30.7 °C
Index of Refraction: 1.600
Molar Refractivity: 66.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.17
ACD/LogD (pH 5.5): -3.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 195.5±5.0 cm3

Click to predict properties on the Chemicalize site


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