(2-chloroethyl)trimethylazanium

• ChemBase ID: 126518
• Molecular Formular: C5H13ClN+
• Molecular Mass: 122.61642
• Monoisotopic Mass: 122.0736521
• SMILES: ClCC[N+](C)(C)C
• Canonical SMILES: ClCC[N+](C)(C)C
• InChI: InChI=1S/C5H13ClN/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1
• InChIKey: JUZXDNPBRPUIOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloroethyl)trimethylazanium
• IUPAC Traditional name: (2-chloroethyl)trimethylazanium
• Synonyms: Chlorocholine; Chlorcholine; Chlormequat

Database IDs

• CAS Number: 999-81-5
• PubChem SID: 162220851
• PubChem CID: 13837
• Chemspider ID: 13237
• Wikipedia Title: Chlormequat

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.3076773
• LogD (pH = 7.4): -3.3076773
• Log P: -3.3076773
• Molar Refractivity: 45.245 cm^3
• Polarizability: 13.225313 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true