2-(Piperidin-4-yl)benzoic acid supplier

Name
2-(Piperidin-4-yl)benzoic acid
EINECS
CAS No. 782494-03-5
Article Data1
CAS DataBase
Density 1.145 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅NO₂
Boiling Point 355.5 °C at 760 mmHg
Molecular Weight 205.257
Flash Point 168.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(4-piperidinyl)Benzoic acid;2-(PIPERIDIN-4-YL)BENZOIC ACID
PSA 49.33000
LogP 2.18060

2-(Piperidin-4-yl)benzoic acid Specification

The CAS registry number of 2-(Piperidin-4-yl)benzoic acid is 782494-03-5. This chemical's molecular formula is C₁₂H₁₅NO₂ and its molecular weight is 205.255. Its systematic name is called 2-piperidin-3-ylbenzoic acid.

Physical properties of this chemical are: (1)ACD/LogP: 2.23; (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): 1.2; (6)ACD/KOC (pH 7.4): 1.22; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.558; (11)Molar Refractivity: 57.78 cm³; (12)Molar Volume: 179.2 cm³; (13)Surface Tension: 46.7 dyne/cm; (14)Density: 1.145 g/cm³; (15)Flash Point: 168.8 °C; (16)Enthalpy of Vaporization: 63.39 kJ/mol; (17)Boiling Point: 355.5 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccccc1C2CCCNC2
(2)InChI: InChI=1/C12H15NO2/c14-12(15)11-6-2-1-5-10(11)9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2,(H,14,15)
(3)InChIKey: BAWNTPWIVXZYLH-UHFFFAOYAO

Product Name

2-(Piperidin-4-yl)benzoic acid

2-(Piperidin-4-yl)benzoic acid Specification

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