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6-Benzyl-2,4-dichloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

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Name

6-Benzyl-2,4-dichloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

EINECS 1533716-785-6
CAS No. 778574-06-4 Density 1.362 g/cm3
PSA 29.02000 LogP 3.27960
Solubility N/A Melting Point N/A
Formula C14H13Cl2N3 Boiling Point 423.9 °C at 760 mmHg
Molecular Weight 294.183 Flash Point 210.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 778574-06-4 (6-BENZYL-2,4-DICHLORO-5,6,7,8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDINE) Hazard Symbols N/A
Synonyms

6-benzyl-2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

Article Data 14

6-Benzyl-2,4-dichloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine Specification

The 6-Benzyl-2,4-dichloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine, with the CAS registry number 778574-06-4, is also known as Pyrido[4,3-d]pyrimidine, 2,4-dichloro-5,6,7,8-tetrahydro-6-(phenylmethyl)-. It belongs to the product category of Chiral Chemicals. This chemical's molecular formula is C14H13Cl2N3 and formula weight is 294.18. What's more, both its IUPAC name and systematic name are the same which is called 6-Benzyl-2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Physical properties about this chemical are: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.43; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 29.02 Å2; (9)Index of Refraction: 1.632; (10)Molar Refractivity: 77.13 cm3; (11)Molar Volume: 215.9 cm3; (12)Surface Tension: 58.8 dyne/cm; (13)Density: 1.362 g/cm3; (14)Flash Point: 210.2 °C; (15)Enthalpy of Vaporization: 67.83 kJ/mol; (16)Boiling Point: 423.9 °C at 760 mmHg; (17)Vapour Pressure: 2.15E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CC2=C1N=C(N=C2Cl)Cl)CC3=CC=CC=C3
(2)InChI: InChI=1S/C14H13Cl2N3/c15-13-11-9-19(8-10-4-2-1-3-5-10)7-6-12(11)17-14(16)18-13/h1-5H,6-9H2
(3)InChIKey: VYVJHDWZXQWAFS-UHFFFAOYSA-N

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