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

• ChemBase ID: 105201
• Molecular Formular: C4H12ClNO
• Molecular Mass: 125.59718
• Monoisotopic Mass: 125.06074169
• SMILES: Cl.CC(C)(N)CO
• Canonical SMILES: OCC(N)(C)C.Cl
• InChI: InChI=1S/C4H11NO.ClH/c1-4(2,5)3-6;/h6H,3,5H2,1-2H3;1H
• InChIKey: PMZIUAOBHNJYQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-methylpropan-1-ol hydrochloride
• IUPAC Traditional name: 2-amino-2-methyl-1-propanol hydrochloride; dimethylethanolamine hydrochloride
• Synonyms: AMP; 2-Amino-2-methyl-1-propanol hydrochloride; 2-AMINO-2-METHYL-1-PROPANOL HYDROCHLORIDE; β-Aminoisobutyl alcohol hydrochloride; β-氨基异丁醇 盐酸盐; 2-氨基-2-甲基-1-丙醇 盐酸盐

Database IDs

• CAS Number: 3207-12-3
• EC Number: 221-713-5
• MDL Number: MFCD00039086
• Beilstein Number: 3668007
• PubChem SID: 162092048; 24891031
• PubChem CID: 76673

CALCULATED PROPERTIES

• Acid pKa: 14.802175
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.6381552
• LogD (pH = 7.4): -3.1101952
• 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

Physical Property

• Solubility: H2O: soluble0.5 g/mL, clear, colorless
• Melting Point: 202-205°C; 204-206 °C
• pKa: 9.7; 9.7 (25°C)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0% (AT)
• Impurities: ≤0.2% water
• pH Range: 9.0 - 10.5
• Useful pH Range: 9.0 - 10.5
• Linear Formula: NH2C(CH3)2CH2OH · HCl

DETAILS

MP Biomedicals - 02159041

Hydrochloride
Crystalline

Sigma Aldrich - 08585

Other Notes
Biological buffer component1