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Bathocuproine 99% AR

CAT: 1278-00354 0100MSize: 100 mgDry Ice: NoHazardous: No
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CAT#:1278-00354 0100MSize:100 mg
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CAS Number
4733-39-5
HS Code
29335200
Packaging Group
GB

Chemical Information

Bathocuproine

reagent for copper; RN given refers to parent cpd

CAS Number4733-39-5
PubChem CID65149
IUPAC Name2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline
Molecular FormulaC26H20N2
Molecular Weight360.4
XLogP6.5
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity461
SMILES
CC1=CC(=C2C=CC3=C(C=C(N=C3C2=N1)C)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H20N2/c1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17/h3-16H,1-2H3
InChIKey
STTGYIUESPWXOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bathocuproine
CAS: 4733-39-5
CID: 65149
Formula: C26H20N2
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP36.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass360.162648646
Monoisotopic Mass360.162648646
Topological Polar Surface Area25.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity461
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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Alternative Products

CatalogName
FB52492-01Bathocuproine
IN12450-01(Bathocuproine) NiBr2
00354 0100MBathocuproine 99% AR
HY-W034953-01Bathocuproine disulfonate (disodium)
235440-01Bathocuproine 99+% (HPLC)
TYD-01460-01Bathocuproine disulfonate disodium
27297-01Bathocuproine (BCP) ACS, 99%
442132-01Bathocuproine discontinued. See 235440
263772-01Bathocuproine Disulfonic Acid Disodium Salt
TRC-B118783-1GDisodium Bathocuproine Disulfonate (Mixture of regioisomers)

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