4-(4,4-Dimethylpiperidin-1-yl)benzoic acid supplier

Name
4-(4,4-DIMETHYL-PIPERIDIN-1-YL)-BENZOIC ACID
EINECS
CAS No. 406233-26-9
Article Data4
CAS DataBase
Density 1.097 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₉NO₂
Boiling Point 388.003 °C at 760 mmHg
Molecular Weight 233.31
Flash Point 188.457 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(4,4-Dimethyl-1-piperidinyl)benzoicacid;4-(4,4-Dimethylpiperidin-1-yl)benzoic Acid;
PSA 40.54000
LogP 3.07620

4-(4,4-Dimethylpiperidin-1-yl)benzoic acid Specification

The 4-(4,4-Dimethylpiperidin-1-yl)benzoic acid, with CAS registry number 406233-26-9, has the systematic name of 4-(4,4-dimethylpiperidin-1-yl)benzoic acid. Besides this, it is also called benzoic acid, 4-(4,4-dimethyl-1-piperidinyl)-. And the chemical formula of this chemical is C₁₄H₁₉NO₂.

Physical properties of 4-(4,4-Dimethylpiperidin-1-yl)benzoic acid: (1)ACD/LogP: 3.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8; (8)ACD/KOC (pH 7.4): 8; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 40.54 Å²; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 67.321 cm³; (15)Molar Volume: 212.645 cm³; (16)Polarizability: 26.688×10^-24cm³; (17)Surface Tension: 40.874 dyne/cm; (18)Enthalpy of Vaporization: 67.202 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(cc1)N2CCC(CC2)(C)C
(2)InChI: InChI=1/C14H19NO2/c1-14(2)7-9-15(10-8-14)12-5-3-11(4-6-12)13(16)17/h3-6H,7-10H2,1-2H3,(H,16,17)
(3)InChIKey: MNGVOIOJCKRYCZ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C14H19NO2/c1-14(2)7-9-15(10-8-14)12-5-3-11(4-6-12)13(16)17/h3-6H,7-10H2,1-2H3,(H,16,17)
(5)Std. InChIKey: MNGVOIOJCKRYCZ-UHFFFAOYSA-N

Product Name

4-(4,4-DIMETHYL-PIPERIDIN-1-YL)-BENZOIC ACID

4-(4,4-Dimethylpiperidin-1-yl)benzoic acid Specification

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