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Basic Information
CAS No.: 4215-07-0
Name: 2,4-Pteridinediamine,7-methyl-(9CI)
Molecular Structure:
Molecular Structure of 4215-07-0 (2,4-Pteridinediamine,7-methyl-(9CI))
Formula: C7H8N6
Molecular Weight: 176.181
Synonyms: Pteridine, 2,4-diamino-7-methyl- (7CI,8CI);2,4-Diamino-7-methylpteridine;7-Methyl-2,4-diaminopteridine;NSC 78958;
Density: 1.502 g/cm3
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,7-methyl-, with the CAS registry number 4215-07-0, is also known as 7-Methyl-2,4-pteridinediamine. It belongs to the product category of Piperidine. This chemical's molecular formula is C7H8N6 and molecular weight is 176.1786. What's more, its systematic name is called 7-Methylpteridine-2,4-diamine.

Physical properties about 2,4-Pteridinediamine,7-methyl- are: (1)ACD/LogP: 0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.01; (4)ACD/LogD (pH 7.4): 0.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.42; (8)ACD/KOC (pH 7.4): 31.41; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 58.04 Å2; (13)Index of Refraction: 1.791; (14)Molar Refractivity: 49.75 cm3; (15)Molar Volume: 117.2 cm3; (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) SMILES: n1c2c(nc(c1)C)nc(nc2N)N
(2) InChI: InChI=1/C7H8N6/c1-3-2-10-4-5(8)12-7(9)13-6(4)11-3/h2H,1H3,(H4,8,9,11,12,13)
(3) InChIKey: CECXILQSXHHKTG-UHFFFAOYAV