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Neocuproine

CAT: 1489-N7530-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:1489-N7530-01Size:1 g
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CAS Number
484-11-7
Purity
0.98

Chemical Information

2,9-Dimethyl-1,10-phenanthroline

Neocuproine is a member of the class of phenanthrolines that is 1,10-phenanthroline bearing two methyl substituents at positions 2 and 9. It has a role as a copper chelator and a chelator.

CAS Number484-11-7
PubChem CID65237
IUPAC Name2,9-dimethyl-1,10-phenanthroline
Molecular FormulaC14H12N2
Molecular Weight208.26
XLogP3.3
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity227
SMILES
CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C
InChI
InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3
InChIKey
IYRGXJIJGHOCFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,9-Dimethyl-1,10-phenanthroline
CAS: 484-11-7
CID: 65237
Formula: C14H12N2
MW: 208.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.26
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass208.100048391
Monoisotopic Mass208.100048391
Topological Polar Surface Area25.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity227
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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584849Neocuproine
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114270 5Neocuproine AR
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179400005Neocuproine 99% AR
25209747Neocuproine hydrochloride monohydrate

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