(2,2-dimethylpropyl)(methyl)amine hydrochloride

• ChemBase ID: 51107
• Molecular Formular: C6H16ClN
• Molecular Mass: 137.65094
• Monoisotopic Mass: 137.0971272
• SMILES: C(CNC)(C)(C)C.Cl
• Canonical SMILES: CNCC(C)(C)C.Cl
• InChI: InChI=1S/C6H15N.ClH/c1-6(2,3)5-7-4;/h7H,5H2,1-4H3;1H
• InChIKey: QRUYXKCCDNOAAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-dimethylpropyl)(methyl)amine hydrochloride
• IUPAC Traditional name: (2,2-dimethylpropyl)(methyl)amine hydrochloride
• Synonyms: (2,2-dimethylpropyl)(methyl)amine hydrochloride; (2,2-Dimethylpropyl)methylamine hydrochloride; N,2,2-Trimethyl-1-propanamine hydrochloride

Database IDs

• MDL Number: MFCD00154107
• PubChem SID: 162055870
• PubChem CID: 22393520

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8060484
• LogD (pH = 7.4): -1.469029
• Log P: 1.4294256
• Molar Refractivity: 32.8357 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 282 - 284°C
• Hydrophobicity(logP): 1.338

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C6H16ClN

DETAILS

Sigma Aldrich - CBR00855

Other Notes
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Legal Information
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