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1854-42-8

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Basic Information
CAS No.: 1854-42-8
Name: 4-Amino-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
Molecular Structure:
Molecular Structure of 1854-42-8 (4-Amino-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine)
Formula: C6H8N4
Molecular Weight: 136.156
Synonyms: 5H-Pyrrolo[3,4-d]pyrimidine,4-amino-6,7-dihydro- (7CI,8CI);
Density: 1.318 g/cm3
Boiling Point: 341.185 °C at 760 mmHg
Flash Point: 160.143 °C
PSA: 63.83000
LogP: 0.57200
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Chemistry

Systematic Name: 5H-Pyrrolo[3,4-d]pyrimidin-4-amine, 6,7-dihydro-
Synonyms of 4-Amino-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CAS NO.1854-42-8): 5H-Pyrrolo[3,4-d]pyrimidin-4-amine,6,7-dihydro-
CAS NO: 1854-42-8
Molecular Formula: C6H8N4
Molecular Weight: 136.15
Molecular Structure:
H bond acceptors: 4
H bond donors: 3
Freely Rotating Bonds: 0
Polar Surface Area: 63.83 Å2
Index of Refraction: 1.648
Molar Refractivity: 37.58 cm3
Molar Volume: 103.2 cm3
Surface Tension: 71.5 dyne/cm
Density: 1.318 g/cm3
Flash Point: 160.1 °C
Enthalpy of Vaporization: 58.48 kJ/mol
Boiling Point: 341.2 °C at 760 mmHg
Vapour Pressure: 8.18E-05 mmHg at 25°C
SMILES: c1nc2c(c(n1)N)CNC2
InChI: InChI=1/C6H8N4/c7-6-4-1-8-2-5(4)9-3-10-6/h3,8H,1-2H2,(H2,7,9,10)
InChIKey: IQYHIELCNXQLGM-UHFFFAOYAU
Std. InChI: InChI=1S/C6H8N4/c7-6-4-1-8-2-5(4)9-3-10-6/h3,8H,1-2H2,(H2,7,9,10)
Std. InChIKey: IQYHIELCNXQLGM-UHFFFAOYSA-N
Product Categories of 4-Amino-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CAS NO.1854-42-8): PYRIMIDINE