(1-amino-2-methylpropan-2-yl)dimethylamine

• ChemBase ID: 31563
• Molecular Formular: C6H16N2
• Molecular Mass: 116.20464
• Monoisotopic Mass: 116.13134852
• SMILES: C(N(C)C)(CN)(C)C
• Canonical SMILES: NCC(N(C)C)(C)C
• InChI: InChI=1S/C6H16N2/c1-6(2,5-7)8(3)4/h5,7H2,1-4H3
• InChIKey: PKZCRWFNSBIBEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-amino-2-methylpropan-2-yl)dimethylamine
• IUPAC Traditional name: (1-amino-2-methylpropan-2-yl)dimethylamine
• Synonyms: 2,N*2*,N*2*-Trimethyl-propane-1,2-diamine; (2-amino-1,1-dimethylethyl)dimethylamine; N2,N2,2-Trimethylpropane-1,2-diamine; N-(2-amino-1,1-dimethylethyl)-N,N-dimethylamine

Database IDs

• CAS Number: 76936-44-2
• MDL Number: MFCD05201592
• PubChem SID: 160994870
• PubChem CID: 9161360

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.9208107
• LogD (pH = 7.4): -2.6138647
• Log P: 0.09033735
• Molar Refractivity: 36.9949 cm^3
• Polarizability: 14.858968 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.385

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%