1-amino-2-methylpropan-2-ol hydrochloride

• ChemBase ID: 294010
• Molecular Formular: C4H12ClNO
• Molecular Mass: 125.59718
• Monoisotopic Mass: 125.06074169
• SMILES: CC(O)(C)CN.Cl
• Canonical SMILES: NCC(O)(C)C.Cl
• InChI: InChI=1S/C4H11NO.ClH/c1-4(2,6)3-5;/h6H,3,5H2,1-2H3;1H
• InChIKey: HZPAJUSRVJDTMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-2-methylpropan-2-ol hydrochloride
• IUPAC Traditional name: 1-amino-2-methylpropan-2-ol hydrochloride
• Synonyms: 1-Amino-2-methylpropan-2-ol hydrochloride

Database IDs

• CAS Number: 30533-50-7
• PubChem SID: 180679541
• PubChem CID: 12386181

CALCULATED PROPERTIES

• Acid pKa: 15.039341
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.620115
• LogD (pH = 7.4): -2.8110626
• Log P: -0.61840916
• Molar Refractivity: 25.2681 cm^3
• Polarizability: 10.242338 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%