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781595-43-5

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Basic Information
CAS No.: 781595-43-5
Name: 5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE
Molecular Structure:
Molecular Structure of 781595-43-5 (5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE)
Formula: C7H9N3
Molecular Weight: 135.17
Synonyms: 5,6,7,8-Tetrahydropyrido[3,4-d]pyrimidine;
Density: 1.138 g/cm3
Boiling Point: 277.051 °C at 760 mmHg
Flash Point: 121.356 °C
PSA: 37.81000
LogP: 0.45110
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Specification

The Pyrido[3, 4-d]pyrimidine, 5, 6, 7, 8-tetrahydro- has CAS registry number 781595-43-5. This chemical's molecular formula is C7H9N3 and molecular weight is 135.17. What's more, its systematic name is 5, 6, 7, 8-Tetrahydropyrido[3, 4-d]pyrimidine.

Physical properties about Pyrido[3, 4-d]pyrimidine, 5, 6, 7, 8-tetrahydro- are: (1)ACD/LogP: -0.78; (2)# of Rule of 5 Violations: 0; (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): 5; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 37.81 Å2; (11)Index of Refraction: 1.552; (12)Molar Refractivity: 37.958 cm3; (13)Molar Volume: 118.743 cm3; (14)Polarizability: 15.048×10-24 cm3; (15)Surface Tension: 49.275 dyne/cm; (16)Density: 1.138 g/cm3; (17)Flash Point: 121.356 °C; (18)Enthalpy of Vaporization: 51.559 kJ/mol; (19)Boiling Point: 277.051 °C at 760 mmHg; (20)Vapour Pressure: 0.005 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ncnc2CNCCc12
(2) InChI: InChI=1/C7H9N3/c1-2-8-4-7-6(1)3-9-5-10-7/h3,5,8H,1-2,4H2
(3) InChIKey: WGJUBVJZKNTGRC-UHFFFAOYAH