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Pinacyanol iodide

CAT: 0286-P19630-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-P19630-02Size:5 g
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CAS Number
605-91-4
Synonyms
1,1-Diethyl-2,2-carbocyanineode
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00011975
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled.
DOT Name
Not D.O.T.-Regulated
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Carbocyanine

Pinacyanol iodide is a cyanine dye and an organic iodide salt. It has a role as a fluorochrome. It contains a pinacyanol cation.

CAS Number605-91-4
PubChem CID5463350
IUPAC Name(2E)-1-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline iodide
Molecular FormulaC25H25IN2
Molecular Weight480.4
Topological Polar Surface Area7.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity527
SMILES
CCN1/C(=C/C=C/C2=[N+](C3=CC=CC=C3C=C2)CC)/C=CC4=CC=CC=C41.[I-]
InChI
InChI=1S/C25H25N2.HI/c1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKey
QWYZFXLSWMXLDM-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Carbocyanine
CAS: 605-91-4
CID: 5463350
Formula: C25H25IN2
MW: 480.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass480.10625
Monoisotopic Mass480.10625
Topological Polar Surface Area7.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity527
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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