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| CAS No.: | 1822-32-8 |
|---|---|
| Name: | 3-Piperidin-4-yl-propionic acid |
| Article Data: | 20 |
| Molecular Structure: | |
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| Formula: | C8H15NO2 |
| Molecular Weight: | 157.213 |
| Synonyms: | 4-Piperidinepropionicacid (6CI,7CI,8CI); |
| Density: | 1.04 g/cm3 |
| Melting Point: | 275-277℃ |
| Boiling Point: | 299.364 °C at 760 mmHg |
| Flash Point: | 134.851 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 41 |
| Safety: | 26-39 |
| PSA: | 49.33000 |
| LogP: | 1.17960 |
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Specification
The 4-Piperidinepropanoicacid, with the CAS registry number 1822-32-8, is also known as 3-(4-Piperidinyl)propanoic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C8H15NO2 and molecular weight is 157.2102. Its IUPAC name is called 3-piperidin-4-ylpropanoic acid.
Physical properties of 4-Piperidinepropanoicacid: (1)ACD/LogP: 0.38; (2)ACD/LogD (pH 5.5): -2.16; (3)ACD/LogD (pH 7.4): -2.12; (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: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.466; (12)Molar Refractivity: 41.93 cm3; (13)Molar Volume: 151.1 cm3; (14)Surface Tension: 39.3 dyne/cm; (15)Density: 1.039 g/cm3; (16)Flash Point: 134.9 °C; (17)Enthalpy of Vaporization: 59.33 kJ/mol; (18)Boiling Point: 299.4 °C at 760 mmHg; (19)Vapour Pressure: 0.000284 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CNCCC1CCC(=O)O
(2)InChI: InChI=1S/C8H15NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h7,9H,1-6H2,(H,10,11)
(3)InChIKey: AUYQMCCWFNSFGV-UHFFFAOYSA-N