(2-aminoethoxy)benzene hydrochloride

• ChemBase ID: 123478
• Molecular Formular: C8H12ClNO
• Molecular Mass: 173.63998
• Monoisotopic Mass: 173.06074169
• SMILES: Cl.NCCOc1ccccc1
• Canonical SMILES: NCCOc1ccccc1.Cl
• InChI: InChI=1S/C8H11NO.ClH/c9-6-7-10-8-4-2-1-3-5-8;/h1-5H,6-7,9H2;1H
• InChIKey: UQJNPPXLUJHLCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethoxy)benzene hydrochloride
• IUPAC Traditional name: ethylamine, 2-phenoxy- hydrochloride
• Synonyms: 2-phenoxyethanamine hydrochloride

Database IDs

• MDL Number: MFCD08582762
• PubChem SID: 162217831
• PubChem CID: 458500

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9430071
• LogD (pH = 7.4): -0.83736897
• Log P: 1.0185907
• Molar Refractivity: 40.471 cm^3
• Polarizability: 16.225569 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.262

Product Information

• Purity: 95%
• Salt Data: HCL