(7-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine

• ChemBase ID: 308843
• Molecular Formular: C10H13NO3
• Molecular Mass: 195.21512
• Monoisotopic Mass: 195.08954328
• SMILES: c1c2c(cc(c1OC)CN)OCCO2
• Canonical SMILES: COc1cc2OCCOc2cc1CN
• InChI: InChI=1S/C10H13NO3/c1-12-8-5-10-9(4-7(8)6-11)13-2-3-14-10/h4-5H,2-3,6,11H2,1H3
• InChIKey: FOFFDUMUFGGYRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
• IUPAC Traditional name: (7-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
• Synonyms: 1-(7-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine

Database IDs

• CAS Number: 1208731-52-5
• MDL Number: MFCD12912136

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.415749
• LogD (pH = 7.4): -1.0224422
• Log P: 0.45447552
• Molar Refractivity: 51.952 cm^3
• Polarizability: 20.525396 Å^3
• Polar Surface Area: 53.71 Å^2