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but-2-enedioic acid; 4-[1-(4-chlorophenyl)-1-ethoxy-ethyl]piperidine 4-[1-(4-chlorophenyl)-1-ethoxyethyl]piperidine but-2-enedioate (1:1) 53220-81-8
Identification and Related Records
【Name】
4-[1-(4-chlorophenyl)-1-ethoxyethyl]piperidine but-2-enedioate (1:1)
【CAS Registry number】
53220-81-8
【Synonyms】
AC1L71Z8
but-2-enedioic acid
4-[1-(4-chlorophenyl)-1-ethoxyethyl]piperidine
【Molecular Formula】
C19H26ClNO5 (Products with the same molecular formula)
【Molecular Weight】
383.8664
【Inchi】
InChI=1/C15H22ClNO.C4H4O4/c1-3-18-15(2,13-8-10-17-11-9-13)12-4-6-14(16)7-5-12;5-3(6)1-2-4(7)8/h4-7,13,17H,3,8-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)
【Canonical SMILES】
CCOC(C)(C1CCNCC1)C2=CC=C(C=C2)Cl.C(=CC(=O)O)C(=O)O
【MOL File】
53220-81-8.mol
Chemical and Physical Properties
【Density】
g/cm3
【Boiling Point】
354.5°C at 760 mmHg
【Flash Point】
168.2°C
【Computed Properties】
Molecular Weight:383.86644 [g/mol]
Molecular Formula:C19H26ClNO5
H-Bond Donor:3
H-Bond Acceptor:6
Rotatable Bond Count:6
Exact Mass:383.149951
MonoIsotopic Mass:383.149951
Topological Polar Surface Area:95.9
Heavy Atom Count:26
Formal Charge:0
Complexity:366
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
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