2-(4-methoxyphenoxy)propan-1-amine

• ChemBase ID: 19211
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: O(c1ccc(cc1)OC)C(CN)C
• Canonical SMILES: NCC(Oc1ccc(cc1)OC)C
• InChI: InChI=1S/C10H15NO2/c1-8(7-11)13-10-5-3-9(12-2)4-6-10/h3-6,8H,7,11H2,1-2H3
• InChIKey: HIWWBKQBOHWJIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenoxy)propan-1-amine; 1-[(1-aminopropan-2-yl)oxy]-4-methoxybenzene
• IUPAC Traditional name: 2-(4-methoxyphenoxy)propan-1-amine; 1-[(1-aminopropan-2-yl)oxy]-4-methoxybenzene
• Synonyms: 1-[(1-aminopropan-2-yl)oxy]-4-methoxybenzene; 2-(4-Methoxyphenoxy)propylamine; 2-(4-Methoxy-phenoxy)-propylamine; 2-(4-Methoxyphenoxy)propylamine; 2-(4-甲氧基苯氧基)丙基胺

Database IDs

• CAS Number: 93750-30-2
• MDL Number: MFCD02684116
• PubChem SID: 160982518
• PubChem CID: 5199614

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6906574
• LogD (pH = 7.4): -0.6199094
• Log P: 1.2774945
• Molar Refractivity: 51.353 cm^3
• Polarizability: 20.57109 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.66

Safety Information

• Storage Warning: Air Sensitive; IRRITANT; Irritant
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P280-P305+P351+P338-P309-P310

Product Information

• Purity: 95%; 98%; 99%