ChemSpider 2D Image | (2S)-Amino[(4S)-3-methyl-2-(methylamino)-3,4,5,6-tetrahydro-4-pyrimidinyl]acetic acid | C8H16N4O2

(2S)-Amino[(4S)-3-methyl-2-(methylamino)-3,4,5,6-tetrahydro-4-pyrimidinyl]acetic acid

  • Molecular FormulaC8H16N4O2
  • Average mass200.238 Da
  • Monoisotopic mass200.127319 Da
  • ChemSpider ID61583310

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-Amino[(4S)-3-methyl-2-(methylamino)-3,4,5,6-tetrahydro-4-pyrimidinyl]acetic acid [ACD/IUPAC Name]
(2S)-Amino[(4S)-3-methyl-2-(methylamino)-3,4,5,6-tetrahydro-4-pyrimidinyl]essigsäure [German] [ACD/IUPAC Name]
4-Pyrimidineacetic acid, α-amino-3,4,5,6-tetrahydro-3-methyl-2-(methylamino)-, (αS,4S)- [ACD/Index Name]
Acide (2S)-amino[(4S)-3-méthyl-2-(méthylamino)-3,4,5,6-tétrahydro-4-pyrimidinyl]acétique [French] [ACD/IUPAC Name]
21948-17-4 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 364.5±48.0 °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: 174.2±29.6 °C
Index of Refraction: 1.621
Molar Refractivity: 50.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.94
ACD/LogD (pH 5.5): -5.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 91 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 142.7±7.0 cm3

Click to predict properties on the Chemicalize site


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