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Search term: 61452975 (Found by CSID)
ChemSpider 2D Image | (2R)-Amino[(4S)-2-iminohexahydro-4-pyrimidinyl]acetic acid | C6H12N4O2

(2R)-Amino[(4S)-2-iminohexahydro-4-pyrimidinyl]acetic acid

  • Molecular FormulaC6H12N4O2
  • Average mass172.185 Da
  • Monoisotopic mass172.096024 Da
  • ChemSpider ID61452975

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-Amino[(4S)-2-iminohexahydro-4-pyrimidinyl]acetic acid [ACD/IUPAC Name]
(2R)-Amino[(4S)-2-iminohexahydro-4-pyrimidinyl]essigsäure [German] [ACD/IUPAC Name]
4-Pyrimidineacetic acid, α-aminohexahydro-2-imino-, (αR,4S)- [ACD/Index Name]
Acide (2R)-amino[(4S)-2-iminohexahydro-4-pyrimidinyl]acétique [French] [ACD/IUPAC Name]
46031-05-4 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 341.1±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 64.3±6.0 kJ/mol
Flash Point: 160.1±29.6 °C
Index of Refraction: 1.733
Molar Refractivity: 39.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.63
ACD/LogD (pH 5.5): -4.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 111 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 83.2±7.0 dyne/cm
Molar Volume: 98.1±7.0 cm3

Click to predict properties on the Chemicalize site


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