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Cyanine 5.5 amine

CAT: 0607-C8596-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-C8596-100Size:100 mg
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Description
Cyanine5.5 amine can react with reactive groups such as NHS esters, carboxyl groups (after activation with carbodiimide), and epoxides.
CAS Number
2097714-45-7
Product Name Alternative
2- ((1E,3E,5E) -5- (3- (6- ((6-aminohexyl) amino) -6-oxohexyl) -1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene) penta-1,3-dien-1-yl) -1,1,3-trimethyl-1H-benzo[e]indol-3-ium chloride hydrochloride
Smiles
CC1 (C) C (/C=C/C=C/C=C2C (C) (C) C (C (C=CC=C3) =C3C=C4) =C4N\2CCCCCC (NCCCCCCN) =O) =[N+] (C) C5=C1C6=C (C=C5) C=CC=C6.[Cl-].Cl
Molecular Formula
C46H58Cl2N4O
Molecular Weight
753.90
Storage Conditions
Store at -20°C away from light for 2 years.

Chemical Information

Cyanine5.5 amine
CAS Number2097714-45-7
PubChem CID165412490
IUPAC NameN-(6-aminohexyl)-6-[(2E)-1,1-dimethyl-2-[(2E,4E)-5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]hexanamide;chloride;hydrochloride
Molecular FormulaC46H58Cl2N4O
Molecular Weight753.9
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Heavy Atom Count53
Formal Charge0
Complexity1290
SMILES
CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C=C/C=C/4\C(C5=C(N4CCCCCC(=O)NCCCCCCN)C=CC6=CC=CC=C65)(C)C)C.Cl.[Cl-]
InChI
InChI=1S/C46H56N4O.2ClH/c1-45(2)40(49(5)38-29-27-34-20-13-15-22-36(34)43(38)45)24-10-8-11-25-41-46(3,4)44-37-23-16-14-21-35(37)28-30-39(44)50(41)33-19-9-12-26-42(51)48-32-18-7-6-17-31-47;;/h8,10-11,13-16,20-25,27-30H,6-7,9,12,17-19,26,31-33,47H2,1-5H3;2*1H
InChIKey
KVJPEAWDFIBHDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyanine5.5 amine
CAS: 2097714-45-7
CID: 165412490
Formula: C46H58Cl2N4O
MW: 753.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight753.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Exact Mass752.3987679
Monoisotopic Mass752.3987679
Topological Polar Surface Area61.4 Ų
Heavy Atom Count53
Formal Charge0
Complexity1290
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CA1940Cyanine 3 amine
CA1920Cyanine 3.5 amine
165-AATCyanine 7 amine [equivalent to Cy7® amine]
145-AATCyanine 3 amine [equivalent to Cy3® amine]
155-AATCyanine 5 amine [equivalent to Cy5® amine]
HY-D2314-01Cyanine 7-amine (chloride hydrochloride)
T86132-01Cyanine 7-amine chloride hydrochloride
139-AATCyanine 3.5 amine [equivalent to Cy3.5® amine]
176-AATCyanine 5.5 amine [equivalent to Cy5.5® amine]
MBS615311-01Cyanine

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