5,6,7,8-Tetrahydropyridino[4,3-d]pyrimidine hydrochloride supplier

Name
5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
EINECS
CAS No. 157327-49-6
Density
Solubility
Melting Point 206-211°C (decomposition)
Formula C₇H₉N₃^.HCl
Boiling Point 307.6 °C at 760 mmHg
Molecular Weight 208.09
Flash Point 139.9 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms Pyrido[4,3-d]pyrimidine,5,6,7,8-tetrahydro-, dihydrochloride (9CI);5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidinedihydrochloride;
PSA 37.81000
LogP 0.45110

5,6,7,8-Tetrahydropyridino[4,3-d]pyrimidine hydrochloride Specification

The 5,6,7,8-Tetrahydropyridino[4,3-d]pyrimidine hydrochloride with cas registry number of 157327-49-6, belongs to the following product categories: CHIRAL CHEMICALS. It has the systematic name of 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine hydrochloride (1:1). And it is also named Pyrido[4,3-d]pyrimidine, 5,6,7,8-tetrahydro-, hydrochloride (1:1).

Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 3; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 37.81 Å²; (10)Enthalpy of Vaporization: 55.92 kJ/mol; (11)Vapour Pressure: 0.000531 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.c1ncnc2CCNCc12;
(2)InChI: InChI=1/C7H9N3.ClH/c1-2-8-3-6-4-9-5-10-7(1)6;/h4-5,8H,1-3H2;1H;
(3)InChIKey: NMBJBSQBCVWFMH-UHFFFAOYAX;
(4)Std. InChI: InChI=1S/C7H9N3.ClH/c1-2-8-3-6-4-9-5-10-7(1)6;/h4-5,8H,1-3H2;1H;
(5)Std. InChIKey: NMBJBSQBCVWFMH-UHFFFAOYSA-N

Product Name

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

5,6,7,8-Tetrahydropyridino[4,3-d]pyrimidine hydrochloride Specification

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