2,3-dihydro-1,4-benzodioxine-6,7-diamine

• ChemBase ID: 166811
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: c1(c(cc2c(c1)OCCO2)N)N
• Canonical SMILES: Nc1cc2OCCOc2cc1N
• InChI: InChI=1S/C8H10N2O2/c9-5-3-7-8(4-6(5)10)12-2-1-11-7/h3-4H,1-2,9-10H2
• InChIKey: FJRUWRJAJNEIKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1,4-benzodioxine-6,7-diamine
• IUPAC Traditional name: 2,3-dihydro-1,4-benzodioxine-6,7-diamine
• Synonyms: 2,3-Dihydro-1,4-benzodioxin-6,7-diamine Dihydrochloride; 1,2-Diamino-4,5-ethylenedioxybenzene, Dihydrochloride; 2,3-dihydro-1,4-benzodioxine-6,7-diamine

Database IDs

• CAS Number: 73448-02-9; 81927-47-1
• MDL Number: MFCD01320394
• PubChem SID: 162260944
• PubChem CID: 133794

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.21802597
• LogD (pH = 7.4): -0.17209212
• Log P: -0.17147356
• Molar Refractivity: 46.4162 cm^3
• Polarizability: 16.935616 Å^3
• Polar Surface Area: 70.5 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Water
• Apperance: Brown Solid
• Melting Point: 124 - 126°C; 264-268°C dec.
• Hydrophobicity(logP): -0.244

Safety Information

• Storage Condition: Amber Vial, Refrigerator, Under Inert Atmosphere

Product Information

• Purity: 95%

DETAILS

Toronto Research Chemicals - D416320

A highly sensitive reagent for a-keto acids. A fluorometric labeling reagent.