Product Name

7-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine Specification

The CAS register number of 7-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is 192869-80-0. It also can be called as Pyrido[3,4-d]pyrimidine,4-chloro-5,6,7,8-tetrahydro-7-(phenylmethyl)- and the systematic name about this chemical is 7-benzyl-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine. The molecular formula about this chemical is C14H14ClN3 and the molecular weight is 259.73. It belongs to the Chiral Chemicals.

Physical properties about 7-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine are: (1)ACD/LogP: 0.41; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 9; (5)ACD/BCF (pH 7.4): 13; (6)ACD/KOC (pH 5.5): 157; (7)ACD/KOC (pH 7.4): 212; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 29.02Å2; (11)Index of Refraction: 1.626; (12)Molar Refractivity: 72.238 cm3; (13)Molar Volume: 204.025 cm3; (14)Polarizability: 28.637x10-24cm3; (15)Surface Tension: 57.166 dyne/cm; (16)Enthalpy of Vaporization: 64.689 kJ/mol; (17)Boiling Point: 396.568 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ncnc1CN(CCc12)Cc3ccccc3
(2)InChI: InChI=1/C14H14ClN3/c15-14-12-6-7-18(9-13(12)16-10-17-14)8-11-4-2-1-3-5-11/h1-5,10H,6-9H2
(3)InChIKey: ZUDXEFPMOWJJQK-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C14H14ClN3/c15-14-12-6-7-18(9-13(12)16-10-17-14)8-11-4-2-1-3-5-11/h1-5,10H,6-9H2
(5)Std. InChIKey: ZUDXEFPMOWJJQK-UHFFFAOYSA-N

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