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Name |
3-Piperidinecarboxylicacid, 1-methyl-, hydrochloride (1:1) |
EINECS | N/A |
CAS No. | 19999-64-5 | Density | N/A |
PSA | 40.54000 | LogP | 1.15270 |
Solubility | N/A | Melting Point |
180 °C |
Formula | C7H14ClNO2 | Boiling Point | 246.1 °C at 760 mmHg |
Molecular Weight | 179.647 | Flash Point | 102.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
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); |
Article Data | 2 |
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