ChemSpider 2D Image | 2-AMINO-4-(4-AMINO-CYCLOHEXA-2,5-DIENYL)-BUTYRIC ACID | C10H16N2O2

2-AMINO-4-(4-AMINO-CYCLOHEXA-2,5-DIENYL)-BUTYRIC ACID

  • Molecular FormulaC10H16N2O2
  • Average mass196.246 Da
  • Monoisotopic mass196.121185 Da
  • ChemSpider ID16743815

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-2-Amino-4-(cis-4-amino-2,5-cyclohexadien-1-yl)butanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-4-(cis-4-amino-2,5-cyclohexadien-1-yl)butansäure [German] [ACD/IUPAC Name]
2,5-Cyclohexadiene-1-butanoic acid, α,4-diamino-, cis- [ACD/Index Name]
2-AMINO-4-(4-AMINO-CYCLOHEXA-2,5-DIENYL)-BUTYRIC ACID
Acide (2S)-2-amino-4-(cis-4-amino-2,5-cyclohexadién-1-yl)butanoïque [French] [ACD/IUPAC Name]
(2S)-2-AMINO-4-(4-AMINOCYCLOHEXA-2,5-DIEN-1-YL)BUTANOIC ACID
(2S)-2-amino-4-[(1s,4s)-4-aminocyclohexa-2,5-dien-1-yl]butanoic acid
53696-70-1 [RN]
AB3
Amiclenomycin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 364.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.1±6.0 kJ/mol
Flash Point: 174.1±27.9 °C
Index of Refraction: 1.550
Molar Refractivity: 54.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.68
ACD/LogD (pH 5.5): -4.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 169.9±3.0 cm3

Click to predict properties on the Chemicalize site


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