2-phenoxypropan-1-amine

• ChemBase ID: 297553
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: CC(CN)Oc1ccccc1
• Canonical SMILES: NCC(Oc1ccccc1)C
• InChI: InChI=1S/C9H13NO/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
• InChIKey: UDRPWKSZPLYUMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenoxypropan-1-amine; [(1-aminopropan-2-yl)oxy]benzene
• IUPAC Traditional name: 2-phenoxypropan-1-amine; [(1-aminopropan-2-yl)oxy]benzene
• Synonyms: 2-PHENOXYPROPYLAMINE; 2-Phenoxypropylamine; 2-苯氧基丙基胺

Database IDs

• CAS Number: 6437-49-6
• MDL Number: MFCD07781046
• PubChem SID: 180683084
• PubChem CID: 3718355

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.532986
• LogD (pH = 7.4): -0.46223816
• Log P: 1.4351658
• Molar Refractivity: 44.8898 cm^3
• Polarizability: 18.071362 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3259
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P280-P305+P351+P338-P309-P310

Product Information

• Purity: 98%