2,2-dimethyloxan-4-amine

• ChemBase ID: 119908
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1(OCCC(C1)N)(C)C
• Canonical SMILES: NC1CCOC(C1)(C)C
• InChI: InChI=1S/C7H15NO/c1-7(2)5-6(8)3-4-9-7/h6H,3-5,8H2,1-2H3
• InChIKey: VXCNRARJXVLHLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethyloxan-4-amine
• IUPAC Traditional name: 2,2-dimethyloxan-4-amine
• Synonyms: 2,2-dimethyltetrahydro-2H-pyran-4-amine

Database IDs

• CAS Number: 25850-22-0
• MDL Number: MFCD00778609
• PubChem SID: 162108200
• PubChem CID: 3809203

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9929214
• LogD (pH = 7.4): -2.629553
• Log P: 0.032878924
• Molar Refractivity: 37.4513 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%