1-Methylpiperidine-4-carboxylic acid hydrochloride supplier

Name
1-Methylpiperidine-4-carboxylic acid hydrochloride
EINECS
CAS No. 71235-92-2
Article Data7
CAS DataBase
Density
Solubility
Melting Point 234-235°C
Formula C₇H₁₄ClNO₂
Boiling Point 246.1 °C at 760 mmHg
Molecular Weight 179.647
Flash Point 102.6 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 22-41
Molecular Structure
Hazard Symbols Xi
Synonyms 1-METHYLPIPERIDINE-4-CARBOXYLIC ACID HYDROCHLORIDE
PSA 40.54000
LogP 1.15270

1-Methylpiperidine-4-carboxylic acid hydrochloride 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

Product Name

1-Methylpiperidine-4-carboxylic acid hydrochloride

1-Methylpiperidine-4-carboxylic acid hydrochloride Specification

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