2,2-dimethyloxan-4-amine hydrochloride

• ChemBase ID: 242301
• Molecular Formular: C7H16ClNO
• Molecular Mass: 165.66104
• Monoisotopic Mass: 165.09204182
• SMILES: C1(OCCC(C1)N)(C)C.Cl
• Canonical SMILES: NC1CCOC(C1)(C)C.Cl
• InChI: InChI=1S/C7H15NO.ClH/c1-7(2)5-6(8)3-4-9-7;/h6H,3-5,8H2,1-2H3;1H
• InChIKey: HDJOGFORYNQVNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethyloxan-4-amine hydrochloride
• IUPAC Traditional name: 2,2-dimethyloxan-4-amine hydrochloride
• Synonyms: 2,2-dimethyloxan-4-amine hydrochloride

Database IDs

• MDL Number: MFCD22192243
• PubChem SID: 164298211
• PubChem CID: 67124190

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

Physical Property

• Hydrophobicity(logP): 0.0060

Product Information

• Purity: 95%