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4458-18-8

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Basic Information
CAS No.: 4458-18-8
Name: 2,4-DIAMINO-5-AMINOMETHYL-PYRIMIDINE
Article Data: 5
Molecular Structure:
Molecular Structure of 4458-18-8 (2,4-DIAMINO-5-AMINOMETHYL-PYRIMIDINE)
Formula: C5H9N5
Molecular Weight: 139.16
Synonyms: Pyrimidine,2,4-diamino-5-(aminomethyl)- (6CI,7CI,8CI);
Density: 1.385 g/cm3
Boiling Point: 458.2 °C at 760 mmHg
Flash Point: 261.7 °C
PSA: 103.84000
LogP: 0.96240
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Specification

The 2,4-Pyrimidinediamine,5-(aminomethyl)-, with the CAS registry number 4458-18-8, is also known as 2,4-Diamine-5-(Aminomethyl)pyrimidine. This chemical's molecular formula is C5H9N5 and molecular weight is 139.1585. Its systematic name is called 5-(aminomethyl)pyrimidine-2,4-diamine.

Physical properties of 2,4-Pyrimidinediamine,5-(aminomethyl)-: (1)ACD/LogP: -1.77; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 6; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.712; (11)Molar Refractivity: 39.35 cm3; (12)Molar Volume: 100.4 cm3; (13)Surface Tension: 94.4 dyne/cm; (14)Density: 1.385 g/cm3; (15)Flash Point: 261.7 °C; (16)Enthalpy of Vaporization: 71.84 kJ/mol; (17)Boiling Point: 458.2 °C at 760 mmHg; (18)Vapour Pressure: 1.4E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(N)c(cnc1N)CN
(2)InChI: InChI=1/C5H9N5/c6-1-3-2-9-5(8)10-4(3)7/h2H,1,6H2,(H4,7,8,9,10)
(3)InChIKey: GSCPVFNKSWRDMO-UHFFFAOYAR