tert-butyl 2-aminoacetate

• ChemBase ID: 90701
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: O(C(=O)CN)C(C)(C)C
• Canonical SMILES: NCC(=O)OC(C)(C)C
• InChI: InChI=1S/C6H13NO2/c1-6(2,3)9-5(8)4-7/h4,7H2,1-3H3
• InChIKey: SJMDMGHPMLKLHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2-aminoacetate
• IUPAC Traditional name: tert-butyl 2-aminoacetate
• Synonyms: tert-Butyl aminoacetate; DL-Glycine tert-butyl ester; tert-Butyl 2-aminoacetate; tert-Butyl glycinate; H-Gly-OtBu; Glycine tert-butyl ester; 甘氨酸叔丁酯

Database IDs

• CAS Number: 6456-74-2
• EC Number: 000-000-0
• MDL Number: MFCD00038194
• Beilstein Number: 2039000
• PubChem SID: 162077450
• PubChem CID: 151417

CALCULATED PROPERTIES

• LogD (pH = 5.5): -1.5321546
• LogD (pH = 7.4): -0.120159544
• Log P: 0.052378148
• Molar Refractivity: 34.5781 cm^3
• Polarizability: 14.082125 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1

PROPERTIES

Physical Property

• Boiling Point: 29-31°C/2mm; 29-31°C/2mm
• Density: 0.96; 0.960
• Refractive Index: 1.4240

Safety Information

• Storage Warning: Air Sensitive; Irritant/Air Sensitive
• TSCA Listed: 否

Product Information

• Purity: 97%