CAS No.21636-09-9,2-METHYLNICOTINIC ACID HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	21636-09-9
Name:	2-METHYLNICOTINIC ACID HYDROCHLORIDE
Article Data:	2

Formula:	C₇H₈ClNO₂
Molecular Weight:	173.599
Synonyms:	Nicotinic acid, 2-methyl-, hydrochloride(8CI);3-Pyridinecarboxylicacid, 2-methyl-, hydrochloride (9CI);
EINECS:	-0
Boiling Point:	280.4 °C at 760 mmHg
Flash Point:	123.4 °C
PSA:	50.19000
LogP:	1.08820

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Specification

The 2-Methylnicotinic acid hydrochloride, with the CAS registry number 21636-09-9, is also known as 3-Pyridinecarboxylic acid, 2-methyl-, hydrochloride (1:1). This chemical's molecular formula is C₇H₈ClNO₂ and molecular weight is 173.60. What's more, its IUPAC name is called 2-Methylpyridine-3-carboxylic acid hydrochloride.

Physical properties about 2-Methylnicotinic acid hydrochloride are: (1)ACD/LogP: 0.607; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.71; (4)ACD/LogD (pH 7.4): -2.48; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 39.19 Å²; (13)Flash Point: 123.4 °C; (14)Enthalpy of Vaporization: 54.84 kJ/mol; (15)Boiling Point: 280.4 °C at 760 mmHg; (16)Vapour Pressure: 0.0018 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cccnc1C.Cl
(2) InChI: InChI=1S/C7H7NO2.ClH/c1-5-6(7(9)10)3-2-4-8-5;/h2-4H,1H3,(H,9,10);1H
(3) InChIKey: AVVWIRGCRHNVFA-UHFFFAOYSA-N