Alphazurine A

CAT: 0862-GT7468-25gSize: 25 gDry Ice: NoHazardous: No

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CAT#:0862-GT7468-25gSize:25 g

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CAS Number

3486-30-4

EC Number

222-476-0

MDL Number

MFCD00044440

HS Code

32041200

Molecular Formula

C37H35N2NaO6S2

Molecular Weight

690.8

Storage Conditions

+20°C

Hazardous Class

Not hazardous

Chemical Information

Acid Blue 7

CAS Number	3486-30-4
PubChem CID	62498
IUPAC Name	sodium 4-[[4-[benzyl(ethyl)amino]phenyl]-[4-[benzyl(ethyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulfonate
Molecular Formula	C37H35N2NaO6S2
Molecular Weight	690.8
Topological Polar Surface Area	137
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Heavy Atom Count	48
Formal Charge	0
Complexity	1280

SMILES

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

InChI

InChI=1S/C37H36N2O6S2.Na/c1-3-38(26-28-11-7-5-8-12-28)32-19-15-30(16-20-32)37(35-24-23-34(46(40,41)42)25-36(35)47(43,44)45)31-17-21-33(22-18-31)39(4-2)27-29-13-9-6-10-14-29;/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);/q;+1/p-1

InChIKey

FTUYQIPAPWPHNC-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 3486-30-4

CID: 62498

Formula: C37H35N2NaO6S2

MW: 690.8

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	690.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Exact Mass	690.18342347
Monoisotopic Mass	690.18342347
Topological Polar Surface Area	137 Å²
Heavy Atom Count	48
Formal Charge	0
Complexity	1280
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	2
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
sc-214526A	Alphazurine A
90005052	Alphazurine A (Acid Blue 7)
A15760	Alphazurine A C.I. No.42080

Alphazurine A

Chemical Information

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