The CAS registry number of Dodecanoicacid, compd. with piperidine (1:1) is 28692-94-6. This chemical is also named as Dodecanoate; piperidin-1-ium. Its EINECS registry number is 249-162-6. In addition, its molecular formula is C17H35NO2 and molecular weight is 285.4653. Its IUPAC name called dodecanoic acid; piperidine.
Physical properties about Dodecanoicacid, compd. with piperidine (1:1) are: (1)ACD/LogP: 5.96; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.4; (4)ACD/LogD (pH 7.4): 3.46; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 10; (8)Flash Point: 207.5 °C; (9)Enthalpy of Vaporization: 73.85 kJ/mol; (10)Boiling Point: 419.5 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C([O-])CCCCCCCCCCC.[NH2+]1CCCCC1
(2)InChI: InChI=1/C12H24O2.C5H11N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-2-4-6-5-3-1/h2-11H2,1H3,(H,13,14);6H,1-5H2
(3)InChIKey: CPWKNJDHUBWTSY-UHFFFAOYAO
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