2-methylpropan-2-amine hydrochloride

• ChemBase ID: 158461
• Molecular Formular: C4H12ClN
• Molecular Mass: 109.59778
• Monoisotopic Mass: 109.06582707
• SMILES: CC(C)(C)N.Cl
• Canonical SMILES: CC(N)(C)C.Cl
• InChI: InChI=1S/C4H11N.ClH/c1-4(2,3)5;/h5H2,1-3H3;1H
• InChIKey: DLDIDQIZPBIVNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpropan-2-amine hydrochloride
• IUPAC Traditional name: erbumine hydrochloride
• Synonyms: 2-Amino-2-methylpropane hydrochloride; tert-Butylamine hydrochloride; 2-氨基-2-甲基丙烷 盐酸盐; 叔丁胺 盐酸盐

Database IDs

• CAS Number: 10017-37-5
• EC Number: 233-009-5
• MDL Number: MFCD00042027
• Beilstein Number: 3905687
• PubChem SID: 162252597; 24890288
• PubChem CID: 82292

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.6013281
• LogD (pH = 7.4): -2.3995833
• Log P: 0.42850077
• Molar Refractivity: 23.7244 cm^3
• Polarizability: 9.648022 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: EO5201000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (AT)
• Impurities: <0.5% water
• Linear Formula: (CH3)3CNH2 · HCl

DETAILS

Sigma Aldrich - 96328

Packaging
25, 100 g in poly bottle