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Patman

CAT: 0931-T87112-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T87112-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
87393-54-2
Target
Others
Related Pathways
Others
Bioactivity
Patman is a polarity-sensitive dye [1].
Smiles
C(CCCCCCCCCCCCCCC)(=O)C1=CC2=C(C=C(N(CC[N+](C)(C)C)C)C=C2)C=C1.[Cl-]
Molecular Formula
C32H53ClN2O
Molecular Weight
517.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Patman
CAS Number87393-54-2
PubChem CID2762653
IUPAC Name2-[(6-hexadecanoylnaphthalen-2-yl)-methylamino]ethyl-trimethylazanium chloride
Molecular FormulaC32H53ClN2O
Molecular Weight517.2
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count19
Heavy Atom Count36
Formal Charge0
Complexity554
SMILES
CCCCCCCCCCCCCCCC(=O)C1=CC2=C(C=C1)C=C(C=C2)N(C)CC[N+](C)(C)C.[Cl-]
InChI
InChI=1S/C32H53N2O.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32(35)30-21-20-29-27-31(23-22-28(29)26-30)33(2)24-25-34(3,4)5;/h20-23,26-27H,6-19,24-25H2,1-5H3;1H/q+1;/p-1
InChIKey
HEANZWXEJRRYTD-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Patman
CAS: 87393-54-2
CID: 2762653
Formula: C32H53ClN2O
MW: 517.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight517.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count19
Exact Mass516.3846420
Monoisotopic Mass516.3846420
Topological Polar Surface Area20.3 Ų
Heavy Atom Count36
Formal Charge0
Complexity554
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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