tert-butyl 2-amino-2-methylpropanoate hydrochloride

• ChemBase ID: 289583
• Molecular Formular: C8H18ClNO2
• Molecular Mass: 195.68702
• Monoisotopic Mass: 195.1026065
• SMILES: CC(C)(N)C(=O)OC(C)(C)C.Cl
• Canonical SMILES: O=C(C(N)(C)C)OC(C)(C)C.Cl
• InChI: InChI=1S/C8H17NO2.ClH/c1-7(2,3)11-6(10)8(4,5)9;/h9H2,1-5H3;1H
• InChIKey: YZKDXIFGPWUKTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2-amino-2-methylpropanoate hydrochloride
• IUPAC Traditional name: tert-butyl 2-amino-2-methylpropanoate hydrochloride
• Synonyms: tert-Butyl 2-amino-2-methylpropanoate hydrochloride

Database IDs

• CAS Number: 84758-81-6
• MDL Number: MFCD08272284
• PubChem SID: 180675114
• PubChem CID: 12186776

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9962191
• LogD (pH = 7.4): 0.6458059
• Log P: 1.0539082
• Molar Refractivity: 43.7853 cm^3
• Polarizability: 17.757055 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%