ChemSpider 2D Image | 2,9-Diamino-5-[amino(carboxy)methyl]-6-oxodecanedioic acid | C12H21N3O7

2,9-Diamino-5-[amino(carboxy)methyl]-6-oxodecanedioic acid

  • Molecular FormulaC12H21N3O7
  • Average mass319.311 Da
  • Monoisotopic mass319.137939 Da
  • ChemSpider ID26504544

More details:






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

2,9-Diamino-5-[amino(carboxy)methyl]-6-oxodecandisäure [German] [ACD/IUPAC Name]
2,9-Diamino-5-[amino(carboxy)methyl]-6-oxodecanedioic acid [ACD/IUPAC Name]
Acide 2,9-diamino-5-[amino(carboxy)méthyl]-6-oxodécanedioïque [French] [ACD/IUPAC Name]
Decanedioic acid, 2,9-diamino-5-(aminocarboxymethyl)-6-oxo- [ACD/Index Name]
92867-44-2 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 709.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 113.0±6.0 kJ/mol
Flash Point: 382.8±32.9 °C
Index of Refraction: 1.576
Molar Refractivity: 72.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -5.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 207 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 79.2±3.0 dyne/cm
Molar Volume: 220.2±3.0 cm3

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