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246C10

CAT: 0127-BIPG2320-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BIPG2320-01Size:5 mg
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CAS Number
2635329-26-7
Purity
95%
Smiles
CCCCCCCCCCC (CN (CCCN1CCN (CC1) CCCN (CC (CCCCCCCCCC) O) CC (CCCCCCCCCC) O) CC (CCCCCCCCCC) O) O

Chemical Information

1,1',1'',1'''-((Piperazine-1,4-diylbis(propane-3,1-diyl))bis(azanetriyl))tetrakis(dodecan-2-ol)
CAS Number2635329-26-7
PubChem CID162773373
IUPAC Name1-[3-[4-[3-[bis(2-hydroxydodecyl)amino]propyl]piperazin-1-yl]propyl-(2-hydroxydodecyl)amino]dodecan-2-ol
Molecular FormulaC58H120N4O4
Molecular Weight937.6
XLogP18.6
Topological Polar Surface Area93.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count52
Heavy Atom Count66
Formal Charge0
Complexity824
SMILES
CCCCCCCCCCC(CN(CCCN1CCN(CC1)CCCN(CC(CCCCCCCCCC)O)CC(CCCCCCCCCC)O)CC(CCCCCCCCCC)O)O
InChI
InChI=1S/C58H120N4O4/c1-5-9-13-17-21-25-29-33-39-55(63)51-61(52-56(64)40-34-30-26-22-18-14-10-6-2)45-37-43-59-47-49-60(50-48-59)44-38-46-62(53-57(65)41-35-31-27-23-19-15-11-7-3)54-58(66)42-36-32-28-24-20-16-12-8-4/h55-58,63-66H,5-54H2,1-4H3
InChIKey
NLIUSFYZNWSAEC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1',1'',1'''-((Piperazine-1,4-diylbis(propane-3,1-diyl))bis(azanetriyl))tetrakis(dodecan-2-ol)
CAS: 2635329-26-7
CID: 162773373
Formula: C58H120N4O4
MW: 937.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight937.6
XLogP318.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count52
Exact Mass936.93095832
Monoisotopic Mass936.93095832
Topological Polar Surface Area93.9 Ų
Heavy Atom Count66
Formal Charge0
Complexity824
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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