ethyl(oxolan-2-ylmethyl)amine

• ChemBase ID: 21853
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: O1C(CNCC)CCC1
• Canonical SMILES: CCNCC1CCCO1
• InChI: InChI=1S/C7H15NO/c1-2-8-6-7-4-3-5-9-7/h7-8H,2-6H2,1H3
• InChIKey: HLSDMLXXPIEJFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(oxolan-2-ylmethyl)amine
• IUPAC Traditional name: ethyl(oxolan-2-ylmethyl)amine
• Synonyms: ethyl(oxolan-2-ylmethyl)amine; N-(tetrahydrofuran-2-ylmethyl)ethanamine; N-(Tetrahydro-2-furanylmethyl)-1-ethanamine

Database IDs

• CAS Number: 7179-86-4
• MDL Number: MFCD00069031
• PubChem SID: 160985160
• PubChem CID: 98295

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.631027
• LogD (pH = 7.4): -1.8556027
• Log P: 0.5825185
• Molar Refractivity: 37.6967 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.73

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%