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C14-4

CAT: 0127-BUP21206-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP21206-02Size:5 mg
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CAS Number
2639634-80-1
Synonyms
?C14494? | ?C14-494? | C144
MDL Number
MFCD35065461
Smiles
OC(CN(CCOCCN(CC(O)CCCCCCCCCCCC)CC(O)CCCCCCCCCCCC)CCN1CCN(CCOCCN(CC(O)CCCCCCCCCCCC)CC(O)CCCCCCCCCCCC)CC1)CCCCCCCCCCCC

Chemical Information

CID 164687424
CAS Number2639634-80-1
PubChem CID164687424
IUPAC Name1-[2-[2-[bis(2-hydroxytetradecyl)amino]ethoxy]ethyl-[2-[4-[2-[2-[bis(2-hydroxytetradecyl)amino]ethoxy]ethyl]piperazin-1-yl]ethyl]amino]tetradecan-2-ol
Molecular FormulaC84H173N5O7
Molecular Weight1365.3
XLogP27.4
Topological Polar Surface Area136
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count80
Heavy Atom Count96
Formal Charge0
Complexity1420
SMILES
CCCCCCCCCCCCC(CN(CCN1CCN(CC1)CCOCCN(CC(CCCCCCCCCCCC)O)CC(CCCCCCCCCCCC)O)CCOCCN(CC(CCCCCCCCCCCC)O)CC(CCCCCCCCCCCC)O)O
InChI
InChI=1S/C84H173N5O7/c1-6-11-16-21-26-31-36-41-46-51-56-80(90)75-87(68-72-96-74-70-89(78-83(93)59-54-49-44-39-34-29-24-19-14-9-4)79-84(94)60-55-50-45-40-35-30-25-20-15-10-5)66-65-85-61-63-86(64-62-85)67-71-95-73-69-88(76-81(91)57-52-47-42-37-32-27-22-17-12-7-2)77-82(92)58-53-48-43-38-33-28-23-18-13-8-3/h80-84,90-94H,6-79H2,1-5H3
InChIKey
OQALBVGFAKJDAR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 164687424
CAS: 2639634-80-1
CID: 164687424
Formula: C84H173N5O7
MW: 1365.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1365.3
XLogP327.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count80
Exact Mass1364.33350287
Monoisotopic Mass1364.33350287
Topological Polar Surface Area136 Ų
Heavy Atom Count96
Formal Charge0
Complexity1420
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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