3-Piperidinepropanoic acid supplier

Name
3-PIPERIDIN-3-YL-PROPIONIC ACID
EINECS
CAS No. 1822-31-7
Article Data6
CAS DataBase
Density 1.039 g/cm³
Solubility
Melting Point
Formula C₈H₁₅NO₂
Boiling Point 299.4 °C at 760 mmHg
Molecular Weight 157.21
Flash Point 134.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Piperidinepropionicacid (6CI,7CI,8CI);3-Piperidin-3-yl-propionic acid;3-(3-Piperidinyl)propanoic acid;
PSA 49.33000
LogP 1.17960

3-Piperidinepropanoic acid Specification

The 3-Piperidinepropanoic acid, with the CAS registry number 1822-31-7, is also known as 3-(3-Piperidinyl)propanoic acid. This chemical's molecular formula is C₈H₁₅NO₂ and molecular weight is 157.21. What's more, its systematic name is 3-piperidin-3-ylpropanoic acid.

Physical properties of 3-Piperidinepropanoic acid are: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.99; (4)ACD/LogD (pH 7.4): -1.95; (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: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 41.93 cm³; (15)Molar Volume: 151.1 cm³; (16)Polarizability: 16.62×10^-24cm³; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.039 g/cm³; (19)Flash Point: 134.9 °C; (20)Enthalpy of Vaporization: 59.33 kJ/mol; (21)Boiling Point: 299.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000284 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCC1CCCNC1
(2)InChI: InChI=1S/C8H15NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h7,9H,1-6H2,(H,10,11)
(3)InChIKey: FCDZOPQSMGHRMK-UHFFFAOYSA-N

Product Name

3-PIPERIDIN-3-YL-PROPIONIC ACID

3-Piperidinepropanoic acid Specification

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