1-methoxy-2-methylpropan-2-amine hydrochloride

• ChemBase ID: 144100
• Molecular Formular: C5H14ClNO
• Molecular Mass: 139.62376
• Monoisotopic Mass: 139.07639175
• SMILES: CC(C)(COC)N.Cl
• Canonical SMILES: COCC(N)(C)C.Cl
• InChI: InChI=1S/C5H13NO.ClH/c1-5(2,6)4-7-3;/h4,6H2,1-3H3;1H
• InChIKey: PNJWRLMQZGHSPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16036163
• PubChem SID: 162238317
• PubChem CID: 21255712

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

• Melting Point: 108 - 110°C
• Hydrophobicity(logP): 0.176

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C5H14ClNO

DETAILS

Sigma Aldrich - CBR00858

Other Notes
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Legal Information
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