(2-amino-2-methylpropyl)dimethylamine hydrochloride

• ChemBase ID: 55175
• Molecular Formular: C6H17ClN2
• Molecular Mass: 152.66558
• Monoisotopic Mass: 152.10802623
• SMILES: C(CN(C)C)(C)(N)C.Cl
• Canonical SMILES: CN(CC(N)(C)C)C.Cl
• InChI: InChI=1S/C6H16N2.ClH/c1-6(2,7)5-8(3)4;/h5,7H2,1-4H3;1H
• InChIKey: UNCGAEAYQSGRQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-amino-2-methylpropyl)dimethylamine hydrochloride
• IUPAC Traditional name: (2-amino-2-methylpropyl)dimethylamine hydrochloride
• Synonyms: N~1~,N~1~,2-trimethylpropane-1,2-diamine hydrochloride

Database IDs

• CAS Number: 89379-40-8
• MDL Number: MFCD13857379
• PubChem SID: 162059938
• PubChem CID: 54759013

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.9045963
• LogD (pH = 7.4): -2.7231724
• 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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false