Products Categories
CAS No.: | 10252-83-2 |
---|---|
Name: | 4-(PIPERIDINE-1-SULFONYL)-BENZOIC ACID |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C12H15NO4S |
Molecular Weight: | 269.321 |
Synonyms: | Benzoicacid, p-(piperidinosulfonyl)- (7CI,8CI);4-(1-Piperidinylsulfonyl)benzoic acid;4-(Piperidin-1-ylsulfonyl)benzoic acid; |
Density: | 1.364 g/cm3 |
Melting Point: | 262 °C(Solv: acetone (67-64-1); methanol (67-56-1)) |
Boiling Point: | 459.6 °C at 760 mmHg |
Flash Point: | 231.8 °C |
PSA: | 83.06000 |
LogP: | 2.57810 |
What can I do for you?
Get Best Price
The systematic name of Benzoic acid,4-(1-piperidinylsulfonyl)- is 4-(piperidin-1-ylsulfonyl)benzoic acid. With the CAS registry number 10252-83-2, it is also named as 4-(1-Piperidinylsulfonyl)benzoic acid. In addition, its molecular formula is C12H15NO4S and its molecular weight is 269.3168.
The other characteristics of Benzoic acid,4-(1-piperidinylsulfonyl)- can be summarized as: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.38; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.82; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 72.06 Å2; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 66.83 cm3; (14)Molar Volume: 197.3 cm3; (15)Polarizability: 26.49×10-24cm3; (16)Surface Tension: 56.4 dyne/cm; (17)Density: 1.364 g/cm3; (18)Flash Point: 231.8 °C; (19)Enthalpy of Vaporization: 75.88 kJ/mol; (20)Boiling Point: 459.6 °C at 760 mmHg; (21)Vapour Pressure: 3.04E-09 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=S(=O)(c1ccc(C(=O)O)cc1)N2CCCCC2
(2)InChI: InChI=1/C12H15NO4S/c14-12(15)10-4-6-11(7-5-10)18(16,17)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,14,15)
(3)InChIKey: UQNINMUUJYRESG-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C12H15NO4S/c14-12(15)10-4-6-11(7-5-10)18(16,17)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,14,15)
(5)Std. InChIKey: UQNINMUUJYRESG-UHFFFAOYSA-N