N-cyclopropyloxan-4-amine

• ChemBase ID: 15514
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: N(C1CCOCC1)C1CC1
• Canonical SMILES: O1CCC(CC1)NC1CC1
• InChI: InChI=1S/C8H15NO/c1-2-7(1)9-8-3-5-10-6-4-8/h7-9H,1-6H2
• InChIKey: DUIOGILHLJADHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyloxan-4-amine
• IUPAC Traditional name: N-cyclopropyloxan-4-amine
• Synonyms: N-Cyclopropyl-N-tetrahydro-2H-pyran-4-ylamine; N-cyclopropyltetrahydro-2H-pyran-4-amine; Cyclopropyl-(tetrahydro-pyran-4-yl)-amine

Database IDs

• CAS Number: 211814-16-3
• MDL Number: MFCD06658420
• PubChem SID: 160978821
• PubChem CID: 6991952

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.991252
• LogD (pH = 7.4): -2.3905342
• Log P: 0.23387216
• Molar Refractivity: 40.3801 cm^3
• Polarizability: 16.22448 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 96%; 98%