ChemSpider 2D Image | N,N'-Bis(2,4-dinitrophenyl)cystine | C18H16N6O12S2

N,N'-Bis(2,4-dinitrophenyl)cystine

  • Molecular FormulaC18H16N6O12S2
  • Average mass572.483 Da
  • Monoisotopic mass572.026733 Da
  • ChemSpider ID82058

More details:

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

23067-16-5 [RN]
245-408-1 [EINECS]
Cystine, N,N'-bis(2,4-dinitrophenyl)- [ACD/Index Name]
N,N'-Bis(2,4-dinitrophenyl)cystin [German] [ACD/IUPAC Name]
N,N'-Bis(2,4-dinitrophenyl)cystine [ACD/IUPAC Name]
N,N'-Bis(2,4-dinitrophényl)cystine [French] [ACD/IUPAC Name]
3-({2-CARBOXY-2-[(2,4-DINITROPHENYL)AMINO]ETHYL}DISULFANYL)-2-[(2,4-DINITROPHENYL)AMINO]PROPANOIC ACID
3-[2-Carboxy-2-(2,4-dinitro-phenylamino)-ethyldisulfanyl]-2-(2,4-dinitro-phenylamino)-propionic acid
NSC-505719

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

AIDS161186 [DBID]
AIDS-161186 [DBID]
NSC505719 [DBID]
NSC677474 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 901.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.3±3.0 kJ/mol
Flash Point: 498.9±34.3 °C
Index of Refraction: 1.772
Molar Refractivity: 133.4±0.3 cm3
#H bond acceptors: 18
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.84
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 333 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 102.9±3.0 dyne/cm
Molar Volume: 320.6±3.0 cm3

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