tetramethylazanium

• ChemBase ID: 2798
• Molecular Formular: C4H12N+
• Molecular Mass: 74.14478
• Monoisotopic Mass: 74.09697439
• SMILES: C[N+](C)(C)C
• Canonical SMILES: C[N+](C)(C)C
• InChI: InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1
• InChIKey: QEMXHQIAXOOASZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetramethylazanium
• IUPAC Traditional name: tetramethylammonium ion; tetramethylammonium
• Synonyms: Tetramethylammonium Ion; N,N,N-trimethylmethanaminium; tetramethylammonium; tetramine; Tetramethylammonium

Database IDs

• CAS Number: 51-92-3
• PubChem SID: 160966246; 46507268
• PubChem CID: 6380
• CHEBI ID: 46020
• Chemspider ID: 6140
• Wikipedia Title: Tetramethylammonium

CALCULATED PROPERTIES

JChem

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.9721673
• LogD (pH = 7.4): -3.9721673
• Log P: -3.9721673
• Molar Refractivity: 35.9017 cm^3
• Polarizability: 9.572162 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -4.07
• LOG S: -2.92
• Solubility (Water): 1.33e-01 g/l

DETAILS

DrugBank - DB03095

Drug information: experimental