CAS No.651558-58-6,2,3-DIHYDRO-1H-PYRROLO[3,4-C]PYRIDINE HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	651558-58-6
Name:	2,3-DIHYDRO-1H-PYRROLO[3,4-C]PYRIDINE HYDROCHLORIDE

Formula:	C₇H₉ClN₂
Molecular Weight:	156.615
Synonyms:	1H-Pyrrolo[3,4-c]pyridine,2,3-dihydro-, monohydrochloride (9CI);2,3-Dihydro-1H-pyrrolo[3,4-c]pyridine hydrochloride;
Boiling Point:	250.4 °C at 760 mmHg
Flash Point:	105.2 °C
PSA:	24.92000
LogP:	1.81560

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Specification

The systematic name of 2,3-Dihydro-1H-pyrrolo[3,4-c]pyridine hydrochloride is 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine hydrochloride. With the CAS registry number 651558-58-6, it is also named as 1H-Pyrrolo[3,4-c]pyridine,2,3-dihydro-, hydrochloride (1:1). The product's category is Chiral Chemicals. In addition, its molecular formula is C₇H₉ClN₂ and its molecular weight is 156.61.

The other characteristics of 2,3-Dihydro-1H-pyrrolo[3,4-c]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): 1; (5)ACD/KOC (pH 7.4): 11.33; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 24.92 Å²; (10)Flash Point: 105.2 °C; (11)Enthalpy of Vaporization: 49.75 kJ/mol; (12)Boiling Point: 250.4 °C at 760 mmHg; (13)Vapour Pressure: 0.0172 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Cl.C1NCc2cnccc12
(2)InChI: InChI=1/C7H8N2.ClH/c1-2-8-4-7-5-9-3-6(1)7;/h1-2,4,9H,3,5H2;1H
(3)InChIKey: PDMGKSJRAQJZDN-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H8N2.ClH/c1-2-8-4-7-5-9-3-6(1)7;/h1-2,4,9H,3,5H2;1H
(5)Std. InChIKey: PDMGKSJRAQJZDN-UHFFFAOYSA-N