1-(3-aminopropoxy)-2-methoxybenzene hydrochloride

• ChemBase ID: 290650
• Molecular Formular: C10H16ClNO2
• Molecular Mass: 217.69254
• Monoisotopic Mass: 217.08695644
• SMILES: NCCCOc1ccccc1OC.Cl
• Canonical SMILES: NCCCOc1ccccc1OC.Cl
• InChI: InChI=1S/C10H15NO2.ClH/c1-12-9-5-2-3-6-10(9)13-8-4-7-11;/h2-3,5-6H,4,7-8,11H2,1H3;1H
• InChIKey: JMXMLVJNABFTOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-aminopropoxy)-2-methoxybenzene hydrochloride
• IUPAC Traditional name: 1-(3-aminopropoxy)-2-methoxybenzene hydrochloride
• Synonyms: 3-(2-Methoxyphenoxy)propan-1-amine hydrochloride; 3-(2-Methoxyphenoxy)propylamine hydrochloride; 1-(3-Aminopropoxy)-2-methoxybenzene hydrochloride; 3-(2-甲氧基苯氧基)丙胺盐酸盐

Database IDs

• CAS Number: 1366407-75-1
• MDL Number: MFCD11036189
• PubChem SID: 180676181
• PubChem CID: 22987842

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0954452
• LogD (pH = 7.4): -1.4970632
• Log P: 0.9208792
• Molar Refractivity: 51.7996 cm^3
• Polarizability: 20.573778 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95+%; 97+%