ethyl 2-[(triphenylmethyl)amino]acetate

• ChemBase ID: 302079
• Molecular Formular: C23H23NO2
• Molecular Mass: 345.43422
• Monoisotopic Mass: 345.17287898
• SMILES: CCOC(=O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: CCOC(=O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H23NO2/c1-2-26-22(25)18-24-23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,24H,2,18H2,1H3
• InChIKey: CAFYNMFIEFNYRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[(triphenylmethyl)amino]acetate
• IUPAC Traditional name: ethyl 2-[(triphenylmethyl)amino]acetate
• Synonyms: N-(Triphenylmethyl)glycine ethyl ester; Trt-Gly-OEt; N-Tritylglycine ethyl ester; N-(三苯甲基)甘氨酸乙酯

Database IDs

• CAS Number: 18514-46-0
• MDL Number: MFCD00026893
• Beilstein Number: 3000902

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.8646736
• LogD (pH = 7.4): 4.943656
• Log P: 4.9447618
• Molar Refractivity: 105.3459 cm^3
• Polarizability: 41.058556 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 112-116°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%