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Chemical Product CAS:81331-12-61-Piperazineethanol,4-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-,(all-E)- (9CI)

CAS:81331-12-6
1-Piperazineethanol,4-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-,(all-E)- (9CI)

  • CAS No:

    81331-12-6
  • Name:

    1-Piperazineethanol,4-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-,(all-E)- (9CI)
  • Molecular Formula:

    C51H86 N2 O
  • Molecular Weight:

    743.2413
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1-Piperazineethanol,4-(3,7,11,15,19,23,27,31, ( CASNO:81331-12-6 )

Identification and Related Records
Name:
1-Piperazineethanol,4-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-,(all-E)- (9CI)
CAS Registry number:
81331-12-6
Iupac name:
2-[4-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z)-3,7,11,15,19,23,27,31,
35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,
34-nonaenyl]piperazin-1-yl]ethanol
Synonyms:
1-Piperazineethanol, 4-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14, 18,22,26,30,34-hexatriacontanonaenyl)-, (all-E)-
Molecular Formula:
C51H86 N2 O
Molecular Weight:
743.2413
Inchi:
InChI=1/C51H86N2O/c1-43(2)19-11-20-44(3)21-12-22-45(4)23-13-24-46(5)25-14-26-47(6)27-15-28-48(7)29-16-30-49(8)31-17-32-50(9)33-18-34-51(10)35-36-52-37-39-53(40-38-52)41-42-54/h19,21,23,25,27,29,31,33,35,54H,11-18,20,22,24,26,28,30,32,34,36-42H2,1-10H3/b44-21-,45-23-,46-25-,47-27-,48-29-,49-31-,50-33-,51-35-
Canonical SMILES:
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCN1CCN(CC1)CCO)C)C)C)C)C)C)C)C)C
Isomers smiles:
CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\
CN1CCN(CC1)CCO)/C)/C)/C)/C)/C)/C)/C)/C)C
Chemical and Physical Properties
Density:
0.915g/cm3
Boiling Point:
763.3°C at 760 mmHg
Refractive Index:
1.513
Flash Point:
316.6°C
Computed Properties:
Molecular Weight:743.24134 [g/mol]
Molecular Formula:C51H86N2O
XLogP3-AA:15.7
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:28
Exact Mass:742.674015
MonoIsotopic Mass:742.674015
Topological Polar Surface Area:26.7
Heavy Atom Count:54
Formal Charge:0
Complexity:1300
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:8
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
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