Rhodamine

CAT: 1596-AR-R09835-02Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-R09835-02Size:100 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

81-88-9

Synonyms

Tetraethylrhodamine; Rhodamine B

Molecular Formula

C28H31ClN2O3

Molecular Weight

479.01

API Name

Rhodamine

Chemical Information

Rhodamine B

D&C Red No. 19 can cause cancer according to The Food and Drug Administration (FDA).

CAS Number	81-88-9
PubChem CID	6694
IUPAC Name	[9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium chloride
Molecular Formula	C28H31ClN2O3
Molecular Weight	479.0
Topological Polar Surface Area	52.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	34
Formal Charge	0
Complexity	811

SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[Cl-]

InChI

InChI=1S/C28H30N2O3.ClH/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;/h9-18H,5-8H2,1-4H3;1H

InChIKey

PYWVYCXTNDRMGF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 81-88-9

CID: 6694

Formula: C28H31ClN2O3

MW: 479.0

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	479.0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	478.2023205
Monoisotopic Mass	478.2023205
Topological Polar Surface Area	52.8 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	811
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
AR-R01474-01	5- (4-Dimethylaminobenzylidene) rhodanine
AR-E09984-01	Epalrestat Impurity 10 (Rhodanine-3-Acetic Acid)