CAS No.147740-02-1,6,7-Dihydro-5H-pyrrolo[3,4-b]pyridine dihydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	147740-02-1
Name:	6,7-Dihydro-5H-pyrrolo[3,4-b]pyridine dihydrochloride

Formula:	C₇H₈N₂^.2HCl
Molecular Weight:	156.61276
Synonyms:	5H-Pyrrolo[3,4-b]pyridine,6,7-dihydro-, dihydrochloride (9CI);6,7-Dihydro-5H-pyrrolo[3,4-b]pyridine dihydrochloride;
EINECS:	828-770-0
Boiling Point:	288.9 °C at 760 mmHg
Flash Point:	128.5 °C
PSA:	24.92000
LogP:	1.81560

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Specification

The systematic name of 6,7-Dihydro-5H-pyrrolo[3,4-beta]pyridine hydrochloride is 6,7-dihydro-5H-pyrrolo[3,4-b]pyridine dihydrochloride. With the CAS registry number 147740-02-1, it is also named as 5H-Pyrrolo[3,4-b]pyridine, 6,7-dihydro-, dihydrochloride. In addition, its molecular formula is C₇H₈N₂^.2(HCl) and molecular weight is 193.07.

The other characteristics of 6,7-Dihydro-5H-pyrrolo[3,4-beta]pyridine hydrochloride can be summarized as: (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): 2; (5)ACD/KOC (pH 7.4): 12; (6)H bond acceptors: 2; (7)H bond donors: 1; (8)Freely Rotating Bonds: 0; (9)Nominal mass: 192; (10)Average mass: 193.0737; (11)Monoisotopic mass: 192.022104; (12)Polar Surface Area: 24.92 Å²; (13)Flash Point: 128.5 °C; (14)Enthalpy of Vaporization: 53.87 kJ/mol; (15)Boiling Point: 288.9 °C at 760 mmHg; (16)Vapour Pressure: 0.00173 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Cl.Cl.C1NCc2ncccc12
(2)InChI:InChI=1/C7H8N2.2ClH/c1-2-6-4-8-5-7(6)9-3-1;;/h1-3,8H,4-5H2;2*1H
(3)InChIKey:FZBCVKVGLQRBHY-UHFFFAOYAY
(4)Std. InChI:InChI=1S/C7H8N2.2ClH/c1-2-6-4-8-5-7(6)9-3-1;;/h1-3,8H,4-5H2;2*1H
(5)Std. InChIKey:FZBCVKVGLQRBHY-UHFFFAOYSA-N