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4088-33-9

Basic Information
CAS No.: 4088-33-9
Name: 3-Piperidin-2-yl-propionic acid
Molecular Structure:
Molecular Structure of 4088-33-9 (3-Piperidin-2-yl-propionic acid)
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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  • 3-PIPERIDIN-2-YL-PROPIONIC ACIDCAS NO.: 4088-33-9

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  • 3-(2-Piperidinyl)propanoic acid  CAS NO.4088-33-9

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Specification

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