Methyl Purple Indicator 0.1% Solution extrapure AR

CAT: 0565-87964Size: 250 mLDry Ice: NoHazardous: No

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Description

Part B

CAS Number

1340-02-9

Storage Temperature

Room Temperature

Chemical Information

Methyl purple

redox dye, sensitive monitor of photosystem I activity in chloroplasts; structure given in first source

CAS Number	1340-02-9
PubChem CID	22836353
IUPAC Name	tetrasodium;bis(2-[[4-(dimethylamino)phenyl]diazenyl]benzoate);2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-5-hydroxybenzenesulfonate
Molecular Formula	C67H62N8Na4O14S3
Molecular Weight	1391.4
Topological Polar Surface Area	359
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	15
Heavy Atom Count	96
Formal Charge	0
Complexity	1890

SMILES

CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=C(C=C(C=C5)O)S(=O)(=O)[O-].CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)[O-].CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C37H36N2O10S3.2C15H15N3O2.4Na/c1-3-38(24-26-7-5-9-33(21-26)50(41,42)43)30-15-11-28(12-16-30)37(35-20-19-32(40)23-36(35)52(47,48)49)29-13-17-31(18-14-29)39(4-2)25-27-8-6-10-34(22-27)51(44,45)46;2*1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20;;;;/h5-23H,3-4,24-25H2,1-2H3,(H3,41,42,43,44,45,46,47,48,49);2*3-10H,1-2H3,(H,19,20);;;;/q;;;4*+1/p-4

InChIKey

CNJVTYXLOYTWPD-UHFFFAOYSA-J

Chemical Structure

2D Structure

CAS: 1340-02-9

CID: 22836353

Formula: C67H62N8Na4O14S3

MW: 1391.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1391.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	15
Exact Mass	1390.3138393
Monoisotopic Mass	1390.3138393
Topological Polar Surface Area	359 Å²
Heavy Atom Count	96
Formal Charge	0
Complexity	1890
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	7
Compound Is Canonicalized	Yes

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Methyl Purple Indicator 0.1% Solution extrapure AR

Chemical Information

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