MN58b

CAT: 0926-DIA19201-04Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-DIA19201-04Size:25 mg

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CAS Number

203192-01-2

MDL Number

MFCD32215299

Smiles

CN (C) C1=CC=[N+] (C=C1) CC2=CC=C (C=C2) CCCCC3=CC=C (C=C3) C[N+]4=CC=C (C=C4) N (C) C.[Br-].[Br-]

Molecular Formula

C32H40Br2N4

Molecular Weight

640.5 g/mol

Controlled

Chemical Information

1,1'-((Butane-1,4-diylbis(4,1-phenylene))bis(methylene))bis(4-(dimethylamino)pyridin-1-ium) bromide

CAS Number	203192-01-2
PubChem CID	52952144
IUPAC Name	1-[[4-[4-[4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]phenyl]butyl]phenyl]methyl]-N,N-dimethylpyridin-1-ium-4-amine dibromide
Molecular Formula	C32H40Br2N4
Molecular Weight	640.5
Topological Polar Surface Area	14.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Heavy Atom Count	38
Formal Charge	0
Complexity	523

SMILES

CN(C)C1=CC=[N+](C=C1)CC2=CC=C(C=C2)CCCCC3=CC=C(C=C3)C[N+]4=CC=C(C=C4)N(C)C.[Br-].[Br-]

InChI

InChI=1S/C32H40N4.2BrH/c1-33(2)31-17-21-35(22-18-31)25-29-13-9-27(10-14-29)7-5-6-8-28-11-15-30(16-12-28)26-36-23-19-32(20-24-36)34(3)4;;/h9-24H,5-8,25-26H2,1-4H3;2*1H/q+2;;/p-2

InChIKey

YLHINOUDZGYMNO-UHFFFAOYSA-L

Chemical Structure

2D Structure

CAS: 203192-01-2

CID: 52952144

Formula: C32H40Br2N4

MW: 640.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	640.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Exact Mass	640.15992
Monoisotopic Mass	638.16197
Topological Polar Surface Area	14.2 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	523
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	3
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5753507	MN58b
A22129-50	MN58b 50mg
A22129-25	MN58b 25mg
408112	MN58b bromide
A22129-5	MN58b 5mg
A22129-100	MN58b 100mg
A22129-10	MN58b 10mg
A22129-1	MN58b 1mg

MN58b

Chemical Information

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