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16462-27-4

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Basic Information
CAS No.: 16462-27-4
Name: 2,4-DIAMINOPYRIMIDINE-5-CARBONITRILE
Article Data: 2
Molecular Structure:
Molecular Structure of 16462-27-4 (2,4-DIAMINOPYRIMIDINE-5-CARBONITRILE)
Formula: C5H5 N5
Molecular Weight: 135.128
Synonyms: 2,4-Diamino-5-cyanopyrimidine;2,4-Diaminopyrimidine-5-carbonitrile; NSC 135235
Density: 1.45g/cm3
Melting Point: 318 °C (decomp)
Boiling Point: 498.2°Cat760mmHg
Flash Point: 255.1°C
PSA: 101.61000
LogP: 0.67508
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Chemistry

IUPAC Name: 2,4-Diaminopyrimidine-5-carbonitrile
Synonyms of 2,4-Diamino-5-cyanopyrimidine (CAS NO.16462-27-4): 5-Pyrimidinecarbonitrile,2,4-diamino- ; 2,4-diaminopyrimidine-5-carbonitrile ; 2,4-Diamino-5-pyrimidinecarbonitrile
CAS NO: 16462-27-4
Molecular Formula: C5H5N5
Molecular Weight: 135.13
Molecular Structure:
H bond acceptors: 5
H bond donors: 4
Freely Rotating Bonds: 0
Polar Surface Area: 56.05 Å2
Index of Refraction: 1.658
Molar Refractivity: 34.15 cm3
Molar Volume: 92.7 cm3
Surface Tension: 109.6 dyne/cm
Density: 1.45 g/cm3
Flash Point: 255.1 °C
Enthalpy of Vaporization: 76.63 kJ/mol
Boiling Point: 498.2 °C at 760 mmHg
Vapour Pressure: 4.62E-10 mmHg at 25°C
SMILES: N#Cc1cnc(nc1N)N
InChI: InChI=1/C5H5N5/c6-1-3-2-9-5(8)10-4(3)7/h2H,(H4,7,8,9,10)
InChIKey: OYUQCQCQLDTRHQ-UHFFFAOYAW
Std. InChI: InChI=1S/C5H5N5/c6-1-3-2-9-5(8)10-4(3)7/h2H,(H4,7,8,9,10)
Std. InChIKey: OYUQCQCQLDTRHQ-UHFFFAOYSA-N
Product Categories of 2,4-Diamino-5-cyanopyrimidine (CAS NO.16462-27-4): PYRIMIDINE