6-methoxy-2,3-dihydro-1H-inden-1-amine hydrochloride

• ChemBase ID: 810427
• Molecular Formular: C10H14ClNO
• Molecular Mass: 199.67726
• Monoisotopic Mass: 199.07639175
• SMILES: Cl.C1(CCc2ccc(cc12)OC)N
• Canonical SMILES: COc1ccc2c(c1)C(N)CC2.Cl
• InChI: InChI=1S/C10H13NO.ClH/c1-12-8-4-2-7-3-5-10(11)9(7)6-8;/h2,4,6,10H,3,5,11H2,1H3;1H
• InChIKey: KJDASQBFJKUGFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2,3-dihydro-1H-inden-1-amine hydrochloride
• IUPAC Traditional name: 6-methoxy-2,3-dihydro-1H-inden-1-amine hydrochloride
• Synonyms: 6-METHOXY-INDAN-1-YL AMINE HYDROCHLORIDE

Database IDs

• CAS Number: 103028-80-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5170252
• LogD (pH = 7.4): -0.71802753
• Log P: 1.4855672
• Molar Refractivity: 48.5754 cm^3
• Polarizability: 19.093763 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%