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Quinaldine Red

CAT: 0286-Q00200-02Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-Q00200-02Size:25 g
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CAS Number
117-92-0
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00011968
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; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; 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

Quinaldine Red

amphiphilic in cationic form; RN given refers to iodide; structure

CAS Number117-92-0
PubChem CID5702759
IUPAC Name4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline iodide
Molecular FormulaC21H23IN2
Molecular Weight430.3
Topological Polar Surface Area7.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity381
SMILES
CC[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N(C)C.[I-]
InChI
InChI=1S/C21H23N2.HI/c1-4-23-20(16-12-18-7-5-6-8-21(18)23)15-11-17-9-13-19(14-10-17)22(2)3;/h5-16H,4H2,1-3H3;1H/q+1;/p-1
InChIKey
JOLANDVPGMEGLK-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Quinaldine Red
CAS: 117-92-0
CID: 5702759
Formula: C21H23IN2
MW: 430.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass430.09060
Monoisotopic Mass430.09060
Topological Polar Surface Area7.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity381
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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