tert-butyl 4-amino-4-methylpentanoate hydrochloride

• ChemBase ID: 285408
• Molecular Formular: C10H22ClNO2
• Molecular Mass: 223.74018
• Monoisotopic Mass: 223.13390663
• SMILES: C(=O)(OC(C)(C)C)CCC(N)(C)C.Cl
• Canonical SMILES: O=C(OC(C)(C)C)CCC(N)(C)C.Cl
• InChI: InChI=1S/C10H21NO2.ClH/c1-9(2,3)13-8(12)6-7-10(4,5)11;/h6-7,11H2,1-5H3;1H
• InChIKey: GBSJRLVBCHFMPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-amino-4-methylpentanoate hydrochloride
• IUPAC Traditional name: tert-butyl 4-amino-4-methylpentanoate hydrochloride
• Synonyms: tert-butyl 4-amino-4-methylpentanoate hydrochloride

Database IDs

• MDL Number: MFCD20731256
• PubChem SID: 180670939
• PubChem CID: 56828162

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.754617
• LogD (pH = 7.4): -1.5524732
• Log P: 1.2752038
• Molar Refractivity: 53.0895 cm^3
• Polarizability: 21.43788 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 157 - 159°C
• Hydrophobicity(logP): 1.896

Product Information

• Purity: 95%