1-methoxy-2-methylpropan-2-amine

• ChemBase ID: 55331
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: C(N)(COC)(C)C
• Canonical SMILES: COCC(N)(C)C
• InChI: InChI=1S/C5H13NO/c1-5(2,6)4-7-3/h4,6H2,1-3H3
• InChIKey: CMZQPQQRGBOLHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxy-2-methylpropan-2-amine
• IUPAC Traditional name: tert-butylamine, 1-methoxy-
• Synonyms: 1-methoxy-2-methylpropan-2-amine; (2-Methoxy-1,1-dimethylethyl)amine

Database IDs

• CAS Number: 20719-68-0
• MDL Number: MFCD01656530
• PubChem SID: 162060094
• PubChem CID: 88666

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9913278
• LogD (pH = 7.4): -2.3877
• 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%