7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(4aH)-one supplier

Name
7-Benzyl-5,6,7,8-tetrahydropyrido-[3,4-d]pyrimidin-4(3H)-one hydrochloride
EINECS
CAS No. 1053656-41-9
Density 1.27 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₅N₃O
Boiling Point 376.5 °C at 760 mmHg
Molecular Weight 241.293
Flash Point 181.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrido[3,4-d]pyrimidin-4(4aH)-one, 5,6,7,8-tetrahydro-7-(phenylmethyl)-;
PSA 45.03000
LogP 0.32710

7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(4aH)-one Specification

R65:Harmful: may cause lung damage if swallowed. The cas register number of 7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(4aH)-one is 1053656-41-9. It also can be called as Pyrido[3,4-d]pyrimidin-4(4aH)-one, 5,6,7,8-tetrahydro-7-(phenylmethyl)- and the Systematic name about this chemical is m7-benzyl-4a,5,6,8-tetrahydropyrido[4,3-e]pyrimidin-4-one.

Physical properties about 7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(4aH)-one are: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.29; (4)ACD/LogD (pH 7.4): 0.67; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 45.03Å²; (9)Index of Refraction: 1.662; (10)Molar Refractivity: 70.33 cm³; (11)Molar Volume: 189.9 cm³; (12)Surface Tension: 51.8 dyne/cm; (13)Density: 1.27 g/cm³; (14)Flash Point: 181.5 °C; (15)Enthalpy of Vaporization: 62.41 kJ/mol; (16)Boiling Point: 376.5 °C at 760 mmHg; (17)Vapour Pressure: 7.23E-06 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C2/N=C\N=C1\CN(CCC12)Cc3ccccc3
2.InChI: InChI=1/C14H15N3O/c18-14-12-6-7-17(9-13(12)15-10-16-14)8-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2
3.InChIKey: ARGXWQQETZHTBW-UHFFFAOYAG
4.Std. InChI: InChI=1S/C14H15N3O/c18-14-12-6-7-17(9-13(12)15-10-16-14)8-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2.

Product Name

7-Benzyl-5,6,7,8-tetrahydropyrido-[3,4-d]pyrimidin-4(3H)-one hydrochloride

7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(4aH)-one Specification

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