5-(2-aminoethoxy)-2,3-dihydro-1H-indene hydrochloride

• ChemBase ID: 15359
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: c12c(ccc(c1)OCCN)CCC2.Cl
• Canonical SMILES: NCCOc1ccc2c(c1)CCC2.Cl
• InChI: InChI=1S/C11H15NO.ClH/c12-6-7-13-11-5-4-9-2-1-3-10(9)8-11;/h4-5,8H,1-3,6-7,12H2;1H
• InChIKey: VOHYRVSEVBXTTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-aminoethoxy)-2,3-dihydro-1H-indene hydrochloride
• IUPAC Traditional name: 5-(2-aminoethoxy)-2,3-dihydro-1H-indene hydrochloride
• Synonyms: 2-(2,3-Dihydro-1H-inden-5-yloxy)ethylamine hydrochloride; 5-(2-aminoethoxy)-2,3-dihydro-1H-indene hydrochloride

Database IDs

• MDL Number: MFCD08721751
• PubChem SID: 160978666
• PubChem CID: 17170922

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9353216
• LogD (pH = 7.4): 0.17031665
• Log P: 2.0262764
• Molar Refractivity: 53.3522 cm^3
• Polarizability: 20.863947 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.275

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%