2H,5H,6H,7H-indeno[5,6-d][1,3]dioxol-6-amine

• ChemBase ID: 128226
• Molecular Formular: C10H11NO2
• Molecular Mass: 177.19984
• Monoisotopic Mass: 177.0789786
• SMILES: C1C(Cc2cc3c(cc12)OCO3)N
• Canonical SMILES: NC1Cc2c(C1)cc1c(c2)OCO1
• InChI: InChI=1S/C10H11NO2/c11-8-1-6-3-9-10(13-5-12-9)4-7(6)2-8/h3-4,8H,1-2,5,11H2
• InChIKey: FQDRMHHCWZAXJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2H,5H,6H,7H-indeno[5,6-d][1,3]dioxol-6-amine
• IUPAC Traditional name: MDAI
• Synonyms: MDAI; 6,7-Dihydro-5H-indeno[5,6-d]-1,3-dioxol-6-amine; MDAI; 5,6-Methylenedioxy-2-aminoindane

Database IDs

• CAS Number: 132741-81-2
• PubChem SID: 162222535
• PubChem CID: 125558
• Chemspider ID: 111694
• Unique Ingredient Identifier: 0DMJ6G3XBF
• Wikipedia Title: MDAI

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9067276
• LogD (pH = 7.4): -1.3270717
• Log P: 1.1105645
• Molar Refractivity: 48.0331 cm^3
• Polarizability: 18.956045 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Pink to Pale Purple Solid
• Melting Point: 92-94°C

Safety Information

• Storage Condition: Refrigerator

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Uncontrolled

DETAILS

Toronto Research Chemicals - M303990

A central nervous system stimulant, similar to Amphetamines.

REFERENCES

• Oberlender, R., et al.: J. Pharmacol., Exper., Ther., 255, 1098 (1990)
• Johnson, M., et al.: Pharmacol., Biochem., Behavior, 40, 915 (1990)
• Malmusi, L., et al.: Med. Chem. Res., 6, 412 (1990)