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