Benzoic acid,2-(3,6-diamino-9H-xanthen-9-yl)-, methyl ester (109244-58-8)

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