4-decylaniline hydrochloride

• ChemBase ID: 80093
• Molecular Formular: C16H28ClN
• Molecular Mass: 269.85322
• Monoisotopic Mass: 269.19102758
• SMILES: Nc1ccc(cc1)CCCCCCCCCC.Cl
• Canonical SMILES: CCCCCCCCCCc1ccc(cc1)N.Cl
• InChI: InChI=1S/C16H27N.ClH/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15;/h11-14H,2-10,17H2,1H3;1H
• InChIKey: GVHBLNKHLYTGAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-decylaniline hydrochloride
• IUPAC Traditional name: 4-decylaniline hydrochloride
• Synonyms: 4-(Dec-1-yl)aniline hydrochloride

Database IDs

• CAS Number: 175136-55-7
• MDL Number: MFCD00155303
• PubChem SID: 162067213
• PubChem CID: 2775796

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.5765114
• LogD (pH = 7.4): 5.6577177
• Log P: 5.6588593
• Molar Refractivity: 77.2086 cm^3
• Polarizability: 29.884523 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Harmful/Light Sensitive/Keep Cold