dibenzylazanium chloride

• ChemBase ID: 106945
• Molecular Formular: C14H16ClN
• Molecular Mass: 233.73654
• Monoisotopic Mass: 233.0971272
• SMILES: [Cl-].C([NH2+]Cc1ccccc1)c1ccccc1
• Canonical SMILES: [NH2+](Cc1ccccc1)Cc1ccccc1.[Cl-]
• InChI: InChI=1S/C14H15N.ClH/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;/h1-10,15H,11-12H2;1H
• InChIKey: QEUMNQFVAMSSNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dibenzylazanium chloride
• IUPAC Traditional name: dibenzylazanium chloride
• Synonyms: DIBENZYLAMINE HYDROCHLORIDE

Database IDs

• CAS Number: 20455-68-9
• EC Number: 243-834-2
• PubChem SID: 162093417
• PubChem CID: 30163

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 0.1655053
• LogD (pH = 7.4): 1.5395616
• Log P: 3.2560678
• Molar Refractivity: 75.3335 cm^3
• Polarizability: 25.14559 Å^3
• Polar Surface Area: 16.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: HQ7088000

DETAILS

MP Biomedicals - 05201986

MP Biomedicals Rare Chemical collection