Benzoic acid,4-(1-piperidinyl)- supplier

Name
4-PIPERIDIN-1-YL-BENZOIC ACID
EINECS
CAS No. 22090-24-0
Article Data9
CAS DataBase
Density 1.178 g/cm³
Solubility
Melting Point 222 - 224oC
Formula C₁₂H₁₅NO₂
Boiling Point 388.9 °C at 760 mmHg
Molecular Weight 205.257
Flash Point 189 °C
Transport Information
Appearance Off white
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms Benzoicacid, p-piperidino- (8CI);4-(1-Piperidyl)benzoic acid;4-(Piperidin-1-yl)benzoic acid;4-Piperidinobenzoic acid;
PSA 40.54000
LogP 2.44010

Benzoic acid,4-(1-piperidinyl)- Specification

The Benzoic acid,4-(1-piperidinyl)-, with CAS registry number 22090-24-0, has the systematic name of 4-(piperidin-1-yl)benzoic acid. Besides this, it is also called 4-Piperidinobenzoic acid. And the chemical formula of this chemical is C₁₂H₁₅NO₂.

Physical properties of Benzoic acid,4-(1-piperidinyl)-: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 0.47; (5)ACD/BCF (pH 5.5): 17.72; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 191.35; (8)ACD/KOC (pH 7.4): 4.33; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 57.99 cm³; (15)Molar Volume: 174.2 cm³; (16)Polarizability: 22.99×10^-24cm³; (17)Surface Tension: 49.1 dyne/cm; (18)Density: 1.178 g/cm³; (19)Flash Point: 189 °C; (20)Enthalpy of Vaporization: 67.31 kJ/mol; (21)Boiling Point: 388.9 °C at 760 mmHg; (22)Vapour Pressure: 9.56E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(cc1)N2CCCCC2
(2)InChI: InChI=1/C12H15NO2/c14-12(15)10-4-6-11(7-5-10)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,14,15)
(3)InChIKey: DGJNUESQBVPXAY-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C12H15NO2/c14-12(15)10-4-6-11(7-5-10)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,14,15)
(5)Std. InChIKey: DGJNUESQBVPXAY-UHFFFAOYSA-N

Product Name

4-PIPERIDIN-1-YL-BENZOIC ACID

Benzoic acid,4-(1-piperidinyl)- Specification

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