(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)(methyl)amine hydrochloride

• ChemBase ID: 235115
• Molecular Formular: C10H14ClNO2
• Molecular Mass: 215.67666
• Monoisotopic Mass: 215.07130637
• SMILES: c12c(OCCO1)ccc(c2)CNC.Cl
• Canonical SMILES: CNCc1ccc2c(c1)OCCO2.Cl
• InChI: InChI=1S/C10H13NO2.ClH/c1-11-7-8-2-3-9-10(6-8)13-5-4-12-9;/h2-3,6,11H,4-5,7H2,1H3;1H
• InChIKey: DPCQMTBVVTUKKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3-dihydro-1,4-benzodioxin-6-ylmethyl)(methyl)amine hydrochloride
• IUPAC Traditional name: (2,3-dihydro-1,4-benzodioxin-6-ylmethyl)(methyl)amine hydrochloride
• Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylamine hydrochloride

Database IDs

• MDL Number: MFCD07308430
• PubChem SID: 164291025
• PubChem CID: 17056623

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.117074
• LogD (pH = 7.4): -0.96763134
• Log P: 1.0447272
• Molar Refractivity: 50.2634 cm^3
• Polarizability: 19.838655 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.434

Product Information

• Purity: 95%
• Salt Data: HCl