3-amino-2-methylpropan-1-ol

• ChemBase ID: 71921
• Molecular Formular: C4H11NO
• Molecular Mass: 89.13624
• Monoisotopic Mass: 89.08406398
• SMILES: NCC(CO)C
• Canonical SMILES: NCC(CO)C
• InChI: InChI=1S/C4H11NO/c1-4(2-5)3-6/h4,6H,2-3,5H2,1H3
• InChIKey: FVXBTPGZQMNAEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-2-methylpropan-1-ol
• IUPAC Traditional name: 3-amino-2-methylpropan-1-ol
• Synonyms: 3-Amino-2-methylpropan-1-ol; (2S)-3-amino-2-methylpropan-1-ol; 3-amino-2-methyl-1-propanol

Database IDs

• CAS Number: 15518-10-2; 88586-62-3
• MDL Number: MFCD19203687; MFCD03412698
• PubChem SID: 162037237
• PubChem CID: 10197625

CALCULATED PROPERTIES

• Acid pKa: 15.441146
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.7894454
• LogD (pH = 7.4): -3.1353507
• Log P: -0.7762776
• Molar Refractivity: 25.4929 cm^3
• Polarizability: 10.242338 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil
• Hydrophobicity(logP): -0.558

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: 95%