tert-butyl 2-[(2-hydroxyethyl)amino]acetate

• ChemBase ID: 267700
• Molecular Formular: C8H17NO3
• Molecular Mass: 175.22548
• Monoisotopic Mass: 175.12084341
• SMILES: C(=O)(OC(C)(C)C)CNCCO
• Canonical SMILES: OCCNCC(=O)OC(C)(C)C
• InChI: InChI=1S/C8H17NO3/c1-8(2,3)12-7(11)6-9-4-5-10/h9-10H,4-6H2,1-3H3
• InChIKey: JXBSKIRFSUEEEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12148638
• PubChem SID: 164323610
• PubChem CID: 11062917

CALCULATED PROPERTIES

• Acid pKa: 15.60136
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.78895664
• LogD (pH = 7.4): -0.22039977
• Log P: -0.20514347
• Molar Refractivity: 45.645 cm^3
• Polarizability: 18.401258 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.357

Product Information

• Purity: 95%