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

Chemical Information

Bathocuproine

reagent for copper; RN given refers to parent cpd

CAS Number	4733-39-5
PubChem CID	65149
IUPAC Name	2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline
Molecular Formula	C26H20N2
Molecular Weight	360.4
XLogP	6.5
Topological Polar Surface Area	25.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	28
Formal Charge	0
Complexity	461

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

CAS: 4733-39-5

CID: 65149

Formula: C26H20N2

MW: 360.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	360.4
XLogP3	6.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	360.162648646
Monoisotopic Mass	360.162648646
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	461
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
00355 0100M	Bathocuproine Disulphonic Acid Disodium Salt 98.5% AR
02590 00100	Sulphanilamide 99% AR
02675 00025	Thioacetamide 99% AR
01794 00005	Neocuproine 99% AR
00356 0100M	Bathophenanthroline 99% AR
02689 00250	Thiourea 99% AR
02675 00100	Thioacetamide 99% AR
01855 02500	Nitrobenzene 99% AR
00356 00001	Bathophenanthroline 99% AR
00366 02500	Benzaldehyde 99% AR

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