ChemSpider 2D Image | (2S)-2-Amino-4-(3-methyl-3H-diaziren-3-yl)butanoic acid | C6H11N3O2

(2S)-2-Amino-4-(3-methyl-3H-diaziren-3-yl)butanoic acid

  • Molecular FormulaC6H11N3O2
  • Average mass157.170 Da
  • Monoisotopic mass157.085129 Da
  • ChemSpider ID61327213

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-4-(3-methyl-3H-diaziren-3-yl)butanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-4-(3-methyl-3H-diaziren-3-yl)butansäure [German] [ACD/IUPAC Name]
3H-Diazirine-3-butanoic acid, α-amino-3-methyl-, (αS)- [ACD/Index Name]
Acide (2S)-2-amino-4-(3-méthyl-3H-diazirén-3-yl)butanoïque [French] [ACD/IUPAC Name]
851960-68-4 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 280.3±46.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 57.1±6.0 kJ/mol
Flash Point: 123.3±29.0 °C
Index of Refraction: 1.632
Molar Refractivity: 37.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): -2.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 88 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 61.8±7.0 dyne/cm
Molar Volume: 105.8±7.0 cm3

Click to predict properties on the Chemicalize site


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