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5,5'-Dimethyldipyrromethane

CAT: 0024-sc-262727Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-262727Size:1 g
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CAS Number
99840-54-7

Chemical Information

5,5'-Dimethyldipyrromethane
CAS Number99840-54-7
PubChem CID11344288
IUPAC Name2-[2-(1H-pyrrol-2-yl)propan-2-yl]-1H-pyrrole
Molecular FormulaC11H14N2
Molecular Weight174.24
XLogP2.4
Topological Polar Surface Area31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity159
SMILES
CC(C)(C1=CC=CN1)C2=CC=CN2
InChI
InChI=1S/C11H14N2/c1-11(2,9-5-3-7-12-9)10-6-4-8-13-10/h3-8,12-13H,1-2H3
InChIKey
LATXIKIAELSWEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,5'-Dimethyldipyrromethane
CAS: 99840-54-7
CID: 11344288
Formula: C11H14N2
MW: 174.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.24
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass174.115698455
Monoisotopic Mass174.115698455
Topological Polar Surface Area31.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity159
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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