(2-aminoethyl)(triphenylmethyl)amine hydrobromide

• ChemBase ID: 158224
• Molecular Formular: C21H23BrN2
• Molecular Mass: 383.32472
• Monoisotopic Mass: 382.10446075
• SMILES: c1ccc(cc1)C(c1ccccc1)(c1ccccc1)NCCN.Br
• Canonical SMILES: NCCNC(c1ccccc1)(c1ccccc1)c1ccccc1.Br
• InChI: InChI=1S/C21H22N2.BrH/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,23H,16-17,22H2;1H
• InChIKey: ILSWDBONXPWRBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)(triphenylmethyl)amine hydrobromide
• IUPAC Traditional name: (2-aminoethyl)(triphenylmethyl)amine hydrobromide
• Synonyms: N-Trityl-1,2-diaminoethane hydrobromide; N-Tritylethylenediamine hydrobromide; N-Trityl-1,2-ethanediamine hydrobromide; N-三苯甲基-1,2-二氨基乙烷 氢溴酸盐; N-三苯甲基乙二胺 氢溴酸盐; N-三苯甲基-1,2-乙二胺 氢溴酸盐

Database IDs

• CAS Number: 389064-43-1
• MDL Number: MFCD03095544
• PubChem SID: 24844884; 162252360
• PubChem CID: 16210986

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.529099
• LogD (pH = 7.4): 2.1797695
• Log P: 4.167093
• Molar Refractivity: 97.6934 cm^3
• Polarizability: 38.236744 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 187-189 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: >97.0% (AT)
• Impurities: ≤3.0% water
• Empirical Formula (Hill Notation): C21H22N2 · HBr