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Basic Information
CAS No.: 708-74-7
Name: 2,4-Pteridinediamine,6-methyl-
Article Data: 14
Molecular Structure:
Molecular Structure of 708-74-7 (2,4-Pteridinediamine,6-methyl-)
Formula: C7H8N6
Molecular Weight: 176.181
Synonyms: Pteridine,2,4-diamino-6-methyl- (6CI,7CI,8CI);2,4-Diamino-6-methylpteridine;6-Methyl-2,4-diaminopteridine;NSC 79658;6-Methylpteridine-2,4-diamine;
Density: 1.502 g/cm3
Melting Point: >300 °C
Boiling Point: 479.5 °C at 760 mmHg
Flash Point: 275.4 °C
PSA: 103.60000
LogP: 1.05500
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Specification

The 2,4-Pteridinediamine,6-methyl-, with the CAS registry number 708-74-7, is also known as 2,4-Diamino-6-methylpteridine. It belongs to the product category of Piperidine. This chemical's molecular formula is C7H8N6 and molecular weight is 176.18. What's more, its IUPAC name is 6-methylpteridine-2,4-diamine. 

Physical properties of 2,4-Pteridinediamine,6-methyl- are: (1)ACD/LogP: 0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.22; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 18.02; (7)ACD/KOC (pH 7.4): 31.36; (8)#H bond acceptors: 6; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 58.04 Å2; (12)Index of Refraction: 1.791; (13)Molar Refractivity: 49.75 cm3; (14)Molar Volume: 117.2 cm3; (15)Polarizability: 19.72×10-24cm3; (16)Surface Tension: 106.7 dyne/cm; (17)Density: 1.502 g/cm3; (18)Flash Point: 275.4 °C; (19)Enthalpy of Vaporization: 74.38 kJ/mol; (20)Boiling Point: 479.5 °C at 760 mmHg; (21)Vapour Pressure: 2.34E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CN=C2C(=N1)C(=NC(=N2)N)N
(2)InChI: InChI=1S/C7H8N6/c1-3-2-10-6-4(11-3)5(8)12-7(9)13-6/h2H,1H3,(H4,8,9,10,12,13)
(3)InChIKey: MFNAKLLYSPINFZ-UHFFFAOYSA-N