2-methoxy-2-methylpropan-1-amine

• ChemBase ID: 53042
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: NCC(C)(C)OC
• Canonical SMILES: NCC(OC)(C)C
• InChI: InChI=1S/C5H13NO/c1-5(2,4-6)7-3/h4,6H2,1-3H3
• InChIKey: ZSTYQALWKOGXOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-2-methylpropan-1-amine
• IUPAC Traditional name: 2-methoxy-2-methylpropan-1-amine
• Synonyms: 2-methoxy-2-methylpropan-1-amine; 2-Methoxy-2-methylpropylamine; (2-methoxy-2-methylpropyl)amine

Database IDs

• CAS Number: 89282-70-2
• MDL Number: MFCD01821229
• PubChem SID: 162057805
• PubChem CID: 11789141

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9685152
• LogD (pH = 7.4): -2.0745409
• Log P: 0.02471732
• Molar Refractivity: 30.0193 cm^3
• Polarizability: 12.157154 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.176

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%