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731824-58-1

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CAS No.: 731824-58-1
Name: 2-AMINO-4A,7-DIHYDRO-PYRROLO[2,3-D]PYRIMIDIN-4-ONE
Molecular Structure:
Molecular Structure of 731824-58-1 (2-AMINO-4A,7-DIHYDRO-PYRROLO[2,3-D]PYRIMIDIN-4-ONE)
Formula: C6H6 N4 O
Molecular Weight: 150.13804
Synonyms: 4H-Pyrrolo[2,3-d]pyrimidin-4-one,2-amino-1,4a-dihydro- (9CI)
Density: 1.87±0.1 g/cm3(Predicted)
Boiling Point: 312.9±45.0 °C(Predicted)
PSA: 79.84000
LogP: -1.12680
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Chemistry

Molecular Structure of 2-Amino-4a,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CAS No.731824-58-1):
 
Molecular Formula: C6H6N4O
Molecular Weight: 150.14
Systematic Name: 2-Amino-1,4a-dihydropyrrolo[2,3-d]pyrimidin-4-one
CAS No: 731824-58-1
H bond acceptors: 5
H bond donors: 3
Freely Rotating Bonds: 0
Polar Surface Area: 79.84 Å2
Index of Refraction: 1.89
Molar Refractivity: 37.023 cm3
Molar Volume: 80.193 cm3
Surface Tension: 92.241 dyne/cm
Density: 1.872 g/cm3
Flash Point: 143.019 °C
Enthalpy of Vaporization: 55.39 kJ/mol
Boiling Point: 312.869 °C at 760 mmHg
Vapour Pressure: 0.001 mmHg at 25°C
InChI: InChI=1/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-3H,(H3,7,8,9,10,11)
InChIKey: OSQUWKMJSPWIRX-UHFFFAOYAB
Std. InChI: InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-3H,(H3,7,8,9,10,11)
Std. InChIKey: OSQUWKMJSPWIRX-UHFFFAOYSA-N
Product Categories: Alcohol;Pyrimidine;Amineprimary