tert-butyl 2-(ethylamino)acetate

• ChemBase ID: 293078
• Molecular Formular: C8H17NO2
• Molecular Mass: 159.22608
• Monoisotopic Mass: 159.12592879
• SMILES: O=C(OC(C)(C)C)CNCC
• Canonical SMILES: CCNCC(=O)OC(C)(C)C
• InChI: InChI=1S/C8H17NO2/c1-5-9-6-7(10)11-8(2,3)4/h9H,5-6H2,1-4H3
• InChIKey: WRMGKVKXBGFCTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2-(ethylamino)acetate
• IUPAC Traditional name: tert-butyl 2-(ethylamino)acetate
• Synonyms: tert-Butyl 2-(ethylamino)acetate

Database IDs

• CAS Number: 172317-17-8
• MDL Number: MFCD12148668
• PubChem SID: 180678609
• PubChem CID: 15481671

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.22509262
• LogD (pH = 7.4): 0.7867435
• Log P: 0.8417665
• Molar Refractivity: 44.1013 cm^3
• Polarizability: 17.757055 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%