ChemSpider 2D Image | (E)-N-{2-[({2-[(Dimethylamino)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]ethyl}-N-methyl-2-nitro-1,1-ethenediamine | C12H21N5O2S2

(E)-N-{2-[({2-[(Dimethylamino)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]ethyl}-N-methyl-2-nitro-1,1-ethenediamine

  • Molecular FormulaC12H21N5O2S2
  • Average mass331.457 Da
  • Monoisotopic mass331.113678 Da
  • ChemSpider ID28189288

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-N-{2-[({2-[(Dimethylamino)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]ethyl}-N-methyl-2-nitro-1,1-ethendiamin [German] [ACD/IUPAC Name]
(E)-N-{2-[({2-[(Dimethylamino)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]ethyl}-N-methyl-2-nitro-1,1-ethenediamine [ACD/IUPAC Name]
(E)-N-{2-[({2-[(Diméthylamino)méthyl]-1,3-thiazol-4-yl}méthyl)sulfanyl]éthyl}-N-méthyl-2-nitro-1,1-éthènediamine [French] [ACD/IUPAC Name]
1,1-Ethenediamine, N-[2-[[[2-[(dimethylamino)methyl]-4-thiazolyl]methyl]thio]ethyl]-N-methyl-2-nitro-, (E)- [ACD/Index Name]
(E)-N-(2-(((2-((dimethylamino)methyl)thiazol-4-yl)methyl)thio)ethyl)-N-methyl-2-nitroethene-1,1-diamine
76963-41-2 [RN]
Nizatidine [BAN] [INN] [JAN] [USAN] [Wiki]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 459.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 231.4±28.7 °C
Index of Refraction: 1.612
Molar Refractivity: 89.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.67
Polar Surface Area: 145 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 258.7±3.0 cm3

Click to predict properties on the Chemicalize site


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