N-methyl-2H,5H,6H,7H,8H-naphtho[2,3-d][1,3]dioxol-6-amine

• ChemBase ID: 128228
• Molecular Formular: C12H15NO2
• Molecular Mass: 205.253
• Monoisotopic Mass: 205.11027873
• SMILES: C1c2cc3OCOc3cc2CCC1NC
• Canonical SMILES: CNC1CCc2c(C1)cc1c(c2)OCO1
• InChI: InChI=1S/C12H15NO2/c1-13-10-3-2-8-5-11-12(15-7-14-11)6-9(8)4-10/h5-6,10,13H,2-4,7H2,1H3
• InChIKey: MTRLJTZQUZHTJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2H,5H,6H,7H,8H-naphtho[2,3-d][1,3]dioxol-6-amine
• IUPAC Traditional name: mdmat
• Synonyms: MDMAT

Database IDs

• CAS Number: 34620-52-5
• PubChem SID: 162222537
• PubChem CID: 23324601
• Chemspider ID: ?
• Wikipedia Title: MDMAT

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.23969
• LogD (pH = 7.4): -0.68435156
• Log P: 1.9877136
• Molar Refractivity: 57.4087 cm^3
• Polarizability: 22.63749 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Legal Status: Uncontrolled