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Rhodamine 110

CAT: 0607-A4678-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-A4678-100Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13558-31-1
Product Name Alternative
3,6-diamino-9-(2-carboxyphenyl)xanthylium chloride
Sequence
Rhodamine 110 chloride; RH110
Purity
0.9897
Solubility
≥5.57 mg/mL in DMSO with ultrasonic; ≥2.01 mg/mL in EtOH with gentle warming and ultrasonic; insoluble in H2O
Smiles
OC(C1=CC=CC=C1C2=C3C(C=C(N)C=C3)=[O+]C4=C2C=CC(N)=C4)=O.[Cl-]
Molecular Formula
C20H15ClN2O3
Molecular Weight
366.8
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

2-(6-Amino-3-imino-3H-xanthen-9-yl)benzoic acid hydrochloride

See also: Rhodamine 110 (annotation moved to).

CAS Number13558-31-1
PubChem CID11617572
IUPAC Name2-(3-amino-6-iminoxanthen-9-yl)benzoic acid;hydrochloride
Molecular FormulaC20H15ClN2O3
Molecular Weight366.8
Topological Polar Surface Area96.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity691
SMILES
C1=CC=C(C(=C1)C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N)C(=O)O.Cl
InChI
InChI=1S/C20H14N2O3.ClH/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24;/h1-10,21H,22H2,(H,23,24);1H
InChIKey
JNGRENQDBKMCCR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(6-Amino-3-imino-3H-xanthen-9-yl)benzoic acid hydrochloride
CAS: 13558-31-1
CID: 11617572
Formula: C20H15ClN2O3
MW: 366.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass366.0771200
Monoisotopic Mass366.0771200
Topological Polar Surface Area96.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity691
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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