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Bismarck Brown (R) For Microscopy

CAT: 1507-42100100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1507-42100100Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5421-66-9
HSN Code
32129090

Chemical Information

Basic Brown 4
CAS Number5421-66-9
PubChem CID79459
IUPAC Name4-[[3-[(2,4-diamino-5-methylphenyl)diazenyl]-4-methylphenyl]diazenyl]-6-methylbenzene-1,3-diamine;dihydrochloride
Molecular FormulaC21H26Cl2N8
Molecular Weight461.4
Topological Polar Surface Area154
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity581
SMILES
CC1=C(C=C(C=C1)N=NC2=C(C=C(C(=C2)C)N)N)N=NC3=C(C=C(C(=C3)C)N)N.Cl.Cl
InChI
InChI=1S/C21H24N8.2ClH/c1-11-4-5-14(26-28-20-6-12(2)15(22)9-17(20)24)8-19(11)27-29-21-7-13(3)16(23)10-18(21)25;;/h4-10H,22-25H2,1-3H3;2*1H
InChIKey
WLKAMFOFXYCYDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Basic Brown 4
CAS: 5421-66-9
CID: 79459
Formula: C21H26Cl2N8
MW: 461.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight461.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass460.1657483
Monoisotopic Mass460.1657483
Topological Polar Surface Area154 Ų
Heavy Atom Count31
Formal Charge0
Complexity581
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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