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71735-34-7

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Basic Information
CAS No.: 71735-34-7
Name: 5-methylpyrimidine-2,4,6-triamine
Article Data: 2
Molecular Structure:
Molecular Structure of 71735-34-7 (5-methylpyrimidine-2,4,6-triamine)
Formula: C5H9N5
Molecular Weight: 139.16
Synonyms: 5-methylpyrimidine-2,4,6-triamine;2,4,6-pyrimidinetriamine, 5-methyl-;5-Methylpyrimidine-2,4,6-triamine;
EINECS: 275-946-2
Density: 1.405 g/cm3
Boiling Point: 489.7 °C at 760 mmHg
Flash Point: 281.9 °C
PSA: 105.30000
LogP: -0.02700
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Specification

The 2,4,6-Pyrimidinetriamine,5-methyl-, with the CAS registry number 71735-34-7 and EINECS registry number 275-946-2, has the systematic name and IUPAC name of 5-methylpyrimidine-2,4,6-triamine. And the molecular formula of the chemical is C5H9N5.

The characteristics of 2,4,6-Pyrimidinetriamine,5-methyl- are as followings: (1)ACD/LogP: -0.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.01; (4)ACD/LogD (pH 7.4): -0.69; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 8.64; (9)#H bond acceptors: 5; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 35.5 Å2; (13)Index of Refraction: 1.741; (14)Molar Refractivity: 39.96 cm3; (15)Molar Volume: 98.9 cm3; (16)Polarizability: 15.84×10-24cm3; (17)Surface Tension: 97 dyne/cm; (18)Density: 1.405 g/cm3; (19)Flash Point: 281.9 °C; (20)Enthalpy of Vaporization: 75.6 kJ/mol; (21)Boiling Point: 489.7 °C at 760 mmHg; (22)Vapour Pressure: 9.77E-10 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1c(N)c(c(nc1N)N)C
(2)InChI: InChI=1/C5H9N5/c1-2-3(6)9-5(8)10-4(2)7/h1H3,(H6,6,7,8,9,10)
(3)InChIKey: PHSWNMAZTISHEE-UHFFFAOYAX