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Dye 937

CAT: 0931-T18985-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T18985-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
195199-04-3
Target
Others
Related Pathways
Others
Bioactivity
Dye 937 is substituted unsymmetrical cyanine dyes and useful in the detection of DNA in electrophoretic gels.
Smiles
[I-].S1C=2C=CC=CC2N(C1=CC3=CC(N(CCC)CCCN(C)C)=[N+](C=4C=CC=CC4)C=5C=CC=CC35)C
Molecular Formula
C32H37IN4S
Molecular Weight
636.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-{[3-(Dimethylamino)propyl](propyl)amino}-4-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-phenylquinolin-1-ium iodide
CAS Number195199-04-3
PubChem CID66577034
IUPAC NameN,N-dimethyl-N'-[4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]-N'-propylpropane-1,3-diamine iodide
Molecular FormulaC32H37IN4S
Molecular Weight636.6
Topological Polar Surface Area38.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count38
Formal Charge0
Complexity734
SMILES
CCCN(CCCN(C)C)C1=[N+](C2=CC=CC=C2C(=C1)C=C3N(C4=CC=CC=C4S3)C)C5=CC=CC=C5.[I-]
InChI
InChI=1S/C32H37N4S.HI/c1-5-20-35(22-13-21-33(2)3)31-23-25(24-32-34(4)29-18-11-12-19-30(29)37-32)27-16-9-10-17-28(27)36(31)26-14-7-6-8-15-26;/h6-12,14-19,23-24H,5,13,20-22H2,1-4H3;1H/q+1;/p-1
InChIKey
XOGNDLJVODASNY-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 2-{[3-(Dimethylamino)propyl](propyl)amino}-4-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-phenylquinolin-1-ium iodide
CAS: 195199-04-3
CID: 66577034
Formula: C32H37IN4S
MW: 636.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight636.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass636.17837
Monoisotopic Mass636.17837
Topological Polar Surface Area38.9 Ų
Heavy Atom Count38
Formal Charge0
Complexity734
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes