tert-butyldimethylamine

• ChemBase ID: 10708
• Molecular Formular: C6H15N
• Molecular Mass: 101.19
• Monoisotopic Mass: 101.12044949
• SMILES: N(C(C)(C)C)(C)C
• Canonical SMILES: CN(C(C)(C)C)C
• InChI: InChI=1S/C6H15N/c1-6(2,3)7(4)5/h1-5H3
• InChIKey: OXQMIXBVXHWDPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyldimethylamine
• IUPAC Traditional name: tert-butyldimethylamine
• Synonyms: N,N-Dimethyl-tert-butylamine

Database IDs

• CAS Number: 918-02-5
• MDL Number: MFCD03452796
• PubChem SID: 160974015
• PubChem CID: 70190

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.2326891
• LogD (pH = 7.4): -1.5077013
• Log P: 1.2441291
• Molar Refractivity: 33.7937 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 88°C-90°C

Safety Information

• Storage Warning: CORROSIVE
• TSCA Listed: false

Product Information

• Purity: 97%