(carbamoylmethyl)trimethylazanium chloride

• ChemBase ID: 181600
• Molecular Formular: C5H13ClN2O
• Molecular Mass: 152.62252
• Monoisotopic Mass: 152.07164073
• SMILES: [N+](CC(=O)N)(C)(C)C.[Cl-]
• Canonical SMILES: NC(=O)C[N+](C)(C)C.[Cl-]
• InChI: InChI=1S/C5H12N2O.ClH/c1-7(2,3)4-5(6)8;/h4H2,1-3H3,(H-,6,8);1H
• InChIKey: VOYUSQRHBBSWFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (carbamoylmethyl)trimethylazanium chloride
• IUPAC Traditional name: (carbamoylmethyl)trimethylazanium chloride

Database IDs

• PubChem SID: 164237510
• PubChem CID: 27986

CALCULATED PROPERTIES

• Acid pKa: 15.11905
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -5.301126
• LogD (pH = 7.4): -5.301107
• Log P: -5.3011265
• Molar Refractivity: 43.8085 cm^3
• Polarizability: 12.622749 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: Cl-
• Classification: Genuine Natural Compounds