2-(oxolan-2-ylmethoxy)propan-1-amine

• ChemBase ID: 15402
• Molecular Formular: C8H17NO2
• Molecular Mass: 159.22608
• Monoisotopic Mass: 159.12592879
• SMILES: O1C(COC(CN)C)CCC1
• Canonical SMILES: NCC(OCC1CCCO1)C
• InChI: InChI=1S/C8H17NO2/c1-7(5-9)11-6-8-3-2-4-10-8/h7-8H,2-6,9H2,1H3
• InChIKey: JOSNICIVZRKUDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxolan-2-ylmethoxy)propan-1-amine
• IUPAC Traditional name: 2-(oxolan-2-ylmethoxy)propan-1-amine
• Synonyms: 2-(Tetrahydro-2-furanylmethoxy)-1-propanamine; 2-(Tetrahydrofuran-2-ylmethoxy)propylamine 95%; 2-(tetrahydro-2-furanmethoxy)-1-propanamine

Database IDs

• CAS Number: 883537-85-7
• MDL Number: MFCD06248806
• PubChem SID: 160978709
• PubChem CID: 43811072

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.8250618
• LogD (pH = 7.4): -1.8850156
• Log P: 0.16272968
• Molar Refractivity: 43.6358 cm^3
• Polarizability: 17.64941 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%