ethyl 2-(tert-butylamino)acetate

• ChemBase ID: 81548
• Molecular Formular: C8H17NO2
• Molecular Mass: 159.22608
• Monoisotopic Mass: 159.12592879
• SMILES: N(CC(=O)OCC)C(C)(C)C
• Canonical SMILES: CCOC(=O)CNC(C)(C)C
• InChI: InChI=1S/C8H17NO2/c1-5-11-7(10)6-9-8(2,3)4/h9H,5-6H2,1-4H3
• InChIKey: ASVKBSWWRBCOBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(tert-butylamino)acetate
• IUPAC Traditional name: ethyl 2-(tert-butylamino)acetate
• Synonyms: ethyl 2-(tert-butylamino)acetate

Database IDs

• CAS Number: 37885-76-0
• MDL Number: MFCD00239220
• PubChem SID: 162068667
• PubChem CID: 2777441

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.39393353
• LogD (pH = 7.4): 0.760448
• 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

Physical Property

• Hydrophobicity(logP): 1.359

Product Information

• Purity: 95%; TECH