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Dihydrorhodamine

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Name

Dihydrorhodamine

EINECS N/A
CAS No. 109244-58-8 Density 1.313g/cm3
PSA 87.57000 LogP 5.08590
Solubility N/A Melting Point 163–165℃
Formula C21H18N2O3 Boiling Point 526.877 °C at 760 mmHg
Molecular Weight 346.386 Flash Point 222.398 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 109244-58-8 (DIHYDRORHODAMINE 123) Hazard Symbols N/A
Synonyms

D 23806;D632;Dihydrorhodamine 123;

Article Data 2

Dihydrorhodamine Specification

The Dihydrorhodamine is an organic compound with the formula C21H18N2O3. The IUPAC name of this chemical is methyl 2-(3,6-diamino-9H-xanthen-9-yl)benzoate. With the CAS registry number 109244-58-8, it is also named as Benzoic acid, 2-(3,6-diamino-9H-xanthen-9-yl)-, methyl ester. The product's categories are AlphabeticalStains and Dyes; DFluorescent Probes, Labels, Particles and Stains; Fluorescent Enzyme Substrates; Fluorescent Enzyme Substrates for Flow Cytometry; Fluorescent Probes, Labels, Particles and Stains; Stains&Dyes, A to. Besides, it should be stored in a cool, dry place at temperature of -20 °C. When you are using it, avoid contact with skin and eyes and do not breathe dust.

Physical properties about Dihydrorhodamine are: (1)ACD/LogP: 1.27; (2)ACD/LogD (pH 5.5): 1.21; (3)ACD/LogD (pH 7.4): 1.273; (4)ACD/BCF (pH 5.5): 4.72; (5)ACD/BCF (pH 7.4): 5.458; (6)ACD/KOC (pH 5.5): 101.356; (7)ACD/KOC (pH 7.4): 117.207; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 87.57 Å2; (12)Index of Refraction: 1.684; (13)Molar Refractivity: 100.091 cm3; (14)Molar Volume: 263.751 cm3; (15)Polarizability: 39.679×10-24cm3; (16)Surface Tension: 62.394 dyne/cm; (17)Density: 1.313 g/cm3; (18)Flash Point: 222.398 °C; (19)Enthalpy of Vaporization: 80.133 kJ/mol; (20)Boiling Point: 526.877 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1ccccc1C2c3ccc(cc3Oc4c2ccc(c4)N)N
(2)InChI: InChI=1/C21H18N2O3/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20/h2-11,20H,22-23H2,1H3
(3)InChIKey: FNEZBBILNYNQGC-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C21H18N2O3/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20/h2-11,20H,22-23H2,1H3
(5)Std. InChIKey: FNEZBBILNYNQGC-UHFFFAOYSA-N

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