ChemSpider 2D Image | (S)-2-[4-(Aminomethyl)-1h-1,2,3-Triazol-1-Yl]-4-Methylpentanoic Acid | C9H16N4O2

(S)-2-[4-(Aminomethyl)-1h-1,2,3-Triazol-1-Yl]-4-Methylpentanoic Acid

  • Molecular FormulaC9H16N4O2
  • Average mass212.249 Da
  • Monoisotopic mass212.127319 Da
  • ChemSpider ID16744222
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-2-[4-(Aminomethyl)-1H-1,2,3-triazol-1-yl]-4-methylpentanoic acid [ACD/IUPAC Name]
(2R)-2-[4-(Aminomethyl)-1H-1,2,3-triazol-1-yl]-4-methylpentansäure [German] [ACD/IUPAC Name]
(S)-2-[4-(Aminomethyl)-1h-1,2,3-Triazol-1-Yl]-4-Methylpentanoic Acid
1H-1,2,3-Triazole-1-acetic acid, 4-(aminomethyl)-α-(2-methylpropyl)-, (αR)- [ACD/Index Name]
Acide (2R)-2-[4-(aminométhyl)-1H-1,2,3-triazol-1-yl]-4-méthylpentanoïque [French] [ACD/IUPAC Name]
(2R)-2-[4-(aminomethyl)-1,2,3-triazol-1-yl]-4-methylpentanoic acid
(R)-RETRO-THIORPHAN

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

RRT [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 402.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 197.1±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 54.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.12
ACD/LogD (pH 5.5): -2.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 94 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 158.8±7.0 cm3

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