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71235-92-2

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Basic Information
CAS No.: 71235-92-2
Name: 1-Methylpiperidine-4-carboxylic acid hydrochloride
Article Data: 7
Molecular Structure:
Molecular Structure of 71235-92-2 (1-Methylpiperidine-4-carboxylic acid hydrochloride)
Formula: C7H14ClNO2
Molecular Weight: 179.647
Synonyms: 1-METHYLPIPERIDINE-4-CARBOXYLIC ACID HYDROCHLORIDE
Melting Point: 234-235°C
Boiling Point: 246.1 °C at 760 mmHg
Flash Point: 102.6 °C
Hazard Symbols: IrritantXi
Risk Codes: 22-41
Safety: 26-39
PSA: 40.54000
LogP: 1.15270
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Specification

The1-Methylpiperidine-4-carboxylic acid hydrochloride, with CAS registry number 71235-92-2, has the systematic name of 4-carboxy-1-methylpiperidinium chloride. Besides this, it is also called 1-Methylpiperidine-4-carboxylic acid hydrochloride (1:1). And the chemical formula of this chemical is C7H14ClNO2.

Physical properties of 1-Methylpiperidine-4-carboxylic acid hydrochloride: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.19; (4)ACD/LogD (pH 7.4): -2.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Flash Point: 102.6 °C; (14)Enthalpy of Vaporization: 53.21 kJ/mol; (15)Boiling Point: 246.1 °C at 760 mmHg; (16)Vapour Pressure: 0.00899 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O=C(O)C1CC[NH+](C)CC1
(2)InChI: InChI=1/C7H13NO2.ClH/c1-8-4-2-6(3-5-8)7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H
(3)InChIKey: NLUDEWJJEMHIIL-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C7H13NO2.ClH/c1-8-4-2-6(3-5-8)7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H
(5)Std. InChIKey: NLUDEWJJEMHIIL-UHFFFAOYSA-N