2-(benzyloxy)ethan-1-amine hydrochloride

• ChemBase ID: 29698
• Molecular Formular: C9H14ClNO
• Molecular Mass: 187.66656
• Monoisotopic Mass: 187.07639175
• SMILES: C(COCc1ccccc1)N.Cl
• Canonical SMILES: NCCOCc1ccccc1.Cl
• InChI: InChI=1S/C9H13NO.ClH/c10-6-7-11-8-9-4-2-1-3-5-9;/h1-5H,6-8,10H2;1H
• InChIKey: AFQMWBUNDONXED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(benzyloxy)ethanamine hydrochloride
• Synonyms: 2-(Benzyloxy)ethanamine hydrochloride; 2-(Benzyloxy)ethylamine hydrochloride; 2-Aminoethyl benzyl ether hydrochloride 90%; 2-(benzyloxy)-1-ethanamine hydrochloride

Database IDs

• CAS Number: 10578-75-3
• MDL Number: MFCD06411550
• PubChem SID: 160993005
• PubChem CID: 2794786

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9310167
• LogD (pH = 7.4): -0.9549768
• Log P: 1.0520388
• Molar Refractivity: 45.5749 cm^3
• Polarizability: 18.082447 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142-143°C

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%