1-(4-methoxyphenyl)propan-1-amine hydrochloride

• ChemBase ID: 16053
• Molecular Formular: C10H16ClNO
• Molecular Mass: 201.69314
• Monoisotopic Mass: 201.09204182
• SMILES: c1c(ccc(c1)C(CC)N)OC.Cl
• Canonical SMILES: CCC(c1ccc(cc1)OC)N.Cl
• InChI: InChI=1S/C10H15NO.ClH/c1-3-10(11)8-4-6-9(12-2)7-5-8;/h4-7,10H,3,11H2,1-2H3;1H
• InChIKey: MEPAINWSSZGNKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)propan-1-amine hydrochloride
• IUPAC Traditional name: 1-(4-methoxyphenyl)propan-1-amine hydrochloride
• Synonyms: [1-(4-methoxyphenyl)propyl]amine hydrochloride; 1-(4-methoxyphenyl)propan-1-amine hydrochloride; 1-(4-Methoxy-phenyl)-propylamine hydrochloride

Database IDs

• MDL Number: MFCD06800956
• PubChem SID: 160979360
• PubChem CID: 45075151

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1279114
• LogD (pH = 7.4): -0.40128785
• Log P: 1.8804404
• Molar Refractivity: 49.9374 cm^3
• Polarizability: 19.91239 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.851

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%