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6,7-Dihydro-5H-pyrrolo-[3,4-d]-pyrimidine dihydrochloride

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Name

6,7-Dihydro-5H-pyrrolo-[3,4-d]-pyrimidine dihydrochloride

EINECS N/A
CAS No. 157327-51-0 Density N/A
PSA 37.81000 LogP 2.01260
Solubility N/A Melting Point N/A
Formula C6H7N3 • 2HCl Boiling Point 248.1 °C at 760 mmHg
Molecular Weight 194.06 Flash Point 103.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 157327-51-0 (6,7-DIHYDRO-5H-PYRROLO-[3,4-D]-PYRIMIDINE DIHYDROCHLORIDE) Hazard Symbols N/A
Synonyms

5H-Pyrrolo[3,4-d]pyrimidine,6,7-dihydro-, dihydrochloride (9CI);6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride;

 

6,7-Dihydro-5H-pyrrolo-[3,4-d]-pyrimidine dihydrochloride Specification

The 5H-Pyrrolo[3,4-d]pyrimidine,6,7-dihydro-, hydrochloride is an organic compound with the formula C6H7N3 • 2HCl. The systematic name of this chemical is 6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine-3,6-diium dichloride. With the CAS registry number 157327-51-0, it is also named as 6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidindihydrochlorid. Besides, its molecular weight is 194.06.

Physical properties about 5H-Pyrrolo[3,4-d]pyrimidine,6,7-dihydro-, hydrochloride are: (1)ACD/LogP: -1.55; (2)ACD/LogD (pH 5.5): -2; (3)ACD/LogD (pH 7.4): -2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3; (7)ACD/KOC (pH 7.4): 3; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 16.77 Å2; (11)Flash Point: 103.9 °C; (12)Enthalpy of Vaporization: 48.53 kJ/mol; (13)Boiling Point: 248.1 °C at 760 mmHg; (14)Vapour Pressure: 0.0247 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C6H7N3.2ClH/c1-5-2-8-4-9-6(5)3-7-1;;/h2,4,7H,1,3H2;2*1H
(2)InChIKey: VGQSNQPVXPPLEH-UHFFFAOYAK
(3)Std. InChI: InChI=1S/C6H7N3.2ClH/c1-5-2-8-4-9-6(5)3-7-1;;/h2,4,7H,1,3H2;2*1H
(4)Std. InChIKey: VGQSNQPVXPPLEH-UHFFFAOYSA-N

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