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| CAS No.: | 99571-58-1 |
|---|---|
| Name: | 6-METHYL-2-PIPERIDINE CARBOXYLIC ACID |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C7H13NO2 |
| Molecular Weight: | 143.186 |
| Synonyms: | 2-piperidinecarboxylic acid, 6-methyl-; |
| Density: | 1.063 g/cm3 |
| Melting Point: | 247 - 249 °C |
| Boiling Point: | 266.996 °C at 760 mmHg |
| Flash Point: | 115.276 °C |
| PSA: | 49.33000 |
| LogP: | 0.93040 |
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- Total:28 Page 1 of 1 1
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Specification
The 6-Methylpiperidine-2-carboxylic acid with cas registry number of 99571-58-1, belongs to the following product categorie: carboxylicacid. Its systematic name and IUPAC name are the same, which is 6-methylpiperidine-2-carboxylic acid.
Physical properties about this chemical are: (1)ACD/LogP: 0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 49.33 Å2; (11)Index of Refraction: 1.465; (12)Molar Refractivity: 37.222 cm3; (13)Molar Volume: 134.728 cm3; (14)Polarizability: 14.756×10-24cm3; (15)Surface Tension: 34.753 dyne/cm; (16)Enthalpy of Vaporization: 55.588 kJ/mol; (17)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC1CCCC(N1)C(=O)O;
(2)InChI: InChI=1/C7H13NO2/c1-5-3-2-4-6(8-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10);
(3)InChIKey: IHLDCUQUFBWSJU-UHFFFAOYAZ;
(4)Std. InChI: InChI=1S/C7H13NO2/c1-5-3-2-4-6(8-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10);
(5)Std. InChIKey: IHLDCUQUFBWSJU-UHFFFAOYSA-N