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CAS No.: | 4088-33-9 |
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Name: | 3-Piperidin-2-yl-propionic acid |
Molecular Structure: | |
Formula: | C8H15NO2 |
Molecular Weight: | 157.2102 |
Synonyms: | 2-Piperidinepropanoic acid; |
Density: | 1.039 g/cm3 |
Boiling Point: | 299.4 °C at 760 mmHg |
Flash Point: | 134.9 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36 |
Safety: | 26 |
PSA: | 49.33000 |
LogP: | 1.32210 |
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The 3-Piperidin-2-yl-propionic acid, with the CAS registry number 4088-33-9, is also known as 2-Piperidinepropanoic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C8H15NO2 and molecular weight is 157.2102. What's more, its systematic name is called 3-Piperidin-2-ylpropanoic acid.
Physical properties about 3-Piperidin-2-yl-propionic acid are: (1)ACD/LogP: 0.68; (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: 3; (10)Polar Surface Area: 49.33 ?Å2; (11)Index of Refraction: 1.466; (12)Molar Refractivity: 41.93 cm3; (13)Molar Volume: 151.1 cm3; (14)Polarizability: 16.62×10-24 cm3; (15)Surface Tension: 39.3 dyne/cm; (16)Density: 1.039 g/cm3; (17)Flash Point: 134.9 °C; (18)Enthalpy of Vaporization: 59.33 kJ/mol; (19)Boiling Point: 299.4 °C at 760 mmHg; (20)Vapour Pressure: 0.000284 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)CCC1CCCCN1
(2) InChI: InChI=1/C8H15NO2/c10-8(11)5-4-7-3-1-2-6-9-7/h7,9H,1-6H2,(H,10,11)
(3) InChIKey: AYRHHRXKZJGDSA-UHFFFAOYAJ