CAS No.19999-64-5,1-METHYLPIPERIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	19999-64-5
Name:	1-METHYLPIPERIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE
Article Data:	2

Formula:	C₇H₁₄ClNO₂
Molecular Weight:	179.647
Synonyms:	N-Methylpiperidine-3-carboxylic acid hydrochloride;1-Methylpiperidine-3-carboxylic acid hydrochloride;Nipecotic acid, 1-methyl-, hydrochloride(8CI);3-Piperidinecarboxylicacid, 1-methyl-, hydrochloride (9CI);
Melting Point:	180 °C
Boiling Point:	246.1 °C at 760 mmHg
Flash Point:	102.6 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	40.54000
LogP:	1.15270

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Specification

The CAS register number of 3-Piperidinecarboxylicacid, 1-methyl-, hydrochloride (1:1) is 19999-64-5. It also can be called as 1-Methylpiperidine-3-carboxylic acidhydrochloride and the systematic name about this chemical is 3-carboxy-1-methylpiperidinium chloride. The molecular formula about this chemical is C₇H₁₄ClNO₂ and the molecular weight is 179.64. It belongs to the Piperidine.

Physical properties about 3-Piperidinecarboxylicacid, 1-methyl-, hydrochloride (1:1) are: (1)ACD/LogP: 0.36; (2)ACD/LogD (pH 5.5): -2.15; (3)ACD/LogD (pH 7.4): -2.14; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.3Å²; (12)Flash Point: 102.6 °C; (13)Enthalpy of Vaporization: 53.21 kJ/mol; (14)Boiling Point: 246.1 °C at 760 mmHg; (15)Vapour Pressure: 0.00899 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O=C(O)C1C[NH+](C)CCC1
(2)InChI: InChI=1/C7H13NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H
(3)InChIKey: YUNAYYMTACPBTD-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H13NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H
(5)Std. InChIKey: YUNAYYMTACPBTD-UHFFFAOYSA-N