Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Methylpiperidine-4-carboxylic acid hydrochloride |
EINECS | N/A |
CAS No. | 71235-92-2 | Density | N/A |
PSA | 40.54000 | LogP | 1.15270 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | 26-39 | Risk Codes | 22-41 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1-METHYLPIPERIDINE-4-CARBOXYLIC ACID HYDROCHLORIDE |
Article Data | 7 |
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