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944902-64-1

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Basic Information
CAS No.: 944902-64-1
Name: Pyrido[4,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-
Molecular Structure:
Molecular Structure of 944902-64-1 (Pyrido[4,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-)
Formula: C7H8ClN3
Molecular Weight: 169.04
Synonyms: Pyrido[4,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-
Density: 1.298 g/cm3
Boiling Point: 321.489 °C at 760 mmHg
Flash Point: 148.231 °C
PSA: 37.81000
LogP: 1.10450
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Specification

The 6-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine hydrochloride, with the CAS registry number 944902-64-1, is also known as Pyrido[4,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-. It belongs to the product category of Chiral Chemicals. This chemical's molecular formula is C7H8ClN3 and molecular weight is 169.6115. Its IUPAC name is called 4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Physical properties of 6-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine hydrochloride: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1.155; (4)ACD/KOC (pH 7.4): 8.826; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Index of Refraction: 1.57; (9)Molar Refractivity: 42.853 cm3; (10)Molar Volume: 130.694 cm3; (11)Surface Tension: 51.713 dyne/cm; (12)Density: 1.298 g/cm3; (13)Flash Point: 148.231 °C; (14)Enthalpy of Vaporization: 56.325 kJ/mol; (15)Boiling Point: 321.489 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CNCC2=C1N=CN=C2Cl
(2)InChI: InChI=1S/C7H8ClN3/c8-7-5-3-9-2-1-6(5)10-4-11-7/h4,9H,1-3H2
(3)InChIKey: SAAGHRIZYAVSBK-UHFFFAOYSA-N