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

• ChemBase ID: 24156
• Molecular Formular: C10H14ClNO2
• Molecular Mass: 215.67666
• Monoisotopic Mass: 215.07130637
• SMILES: O1c2c(OCC1CNC)cccc2.Cl
• Canonical SMILES: CNCC1COc2c(O1)cccc2.Cl
• InChI: InChI=1S/C10H13NO2.ClH/c1-11-6-8-7-12-9-4-2-3-5-10(9)13-8;/h2-5,8,11H,6-7H2,1H3;1H
• InChIKey: QKJLBZVHZREZQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3-dihydro-1,4-benzodioxin-2-ylmethyl)(methyl)amine hydrochloride
• IUPAC Traditional name: (2,3-dihydro-1,4-benzodioxin-2-ylmethyl)(methyl)amine hydrochloride
• Synonyms: (2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-methyl-amine hydrochloride; N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N-methylamine hydrochloride

Database IDs

• MDL Number: MFCD01827783
• PubChem SID: 160987463
• PubChem CID: 2870143

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9353573
• LogD (pH = 7.4): -0.6275857
• Log P: 1.181742
• Molar Refractivity: 49.41 cm^3
• Polarizability: 19.84326 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.479

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Salt Data: HCl