tert-butyl 2-[(propan-2-yl)amino]acetate

• ChemBase ID: 245305
• Molecular Formular: C9H19NO2
• Molecular Mass: 173.25266
• Monoisotopic Mass: 173.14157885
• SMILES: C(=O)(OC(C)(C)C)CNC(C)C
• Canonical SMILES: CC(NCC(=O)OC(C)(C)C)C
• InChI: InChI=1S/C9H19NO2/c1-7(2)10-6-8(11)12-9(3,4)5/h7,10H,6H2,1-5H3
• InChIKey: NGSAOBOSMSHVEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2-[(propan-2-yl)amino]acetate
• IUPAC Traditional name: tert-butyl 2-(isopropylamino)acetate
• Synonyms: tert-butyl 2-[(propan-2-yl)amino]acetate

Database IDs

• MDL Number: MFCD12148600
• PubChem SID: 164301215
• PubChem CID: 11469352

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.111208975
• LogD (pH = 7.4): 1.1919085
• Log P: 1.2583416
• Molar Refractivity: 48.5201 cm^3
• Polarizability: 19.596916 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.668

Product Information

• Purity: 95%