1-[(2-aminoethyl)amino]propan-2-ol

• ChemBase ID: 110572
• Molecular Formular: C5H14N2O
• Molecular Mass: 118.17746
• Monoisotopic Mass: 118.11061308
• SMILES: CC(O)CNCCN
• Canonical SMILES: NCCNCC(O)C
• InChI: InChI=1S/C5H14N2O/c1-5(8)4-7-3-2-6/h5,7-8H,2-4,6H2,1H3
• InChIKey: CWKVFRNCODQPDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2-aminoethyl)amino]propan-2-ol
• IUPAC Traditional name: 1-[(2-aminoethyl)amino]propan-2-ol
• Synonyms: N-(β-HYDROXYPROPYL)ETHYLENEDIAMINE; 1-((2-Aminoethyl)amino)propan-2-ol

Database IDs

• CAS Number: 123-84-2
• MDL Number: MFCD00025598
• PubChem SID: 162090508
• PubChem CID: 101594

CALCULATED PROPERTIES

• Acid pKa: 15.296548
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -5.9393234
• LogD (pH = 7.4): -3.7337942
• Log P: -1.2633892
• Molar Refractivity: 33.3543 cm^3
• Polarizability: 13.610921 Å^3
• Polar Surface Area: 58.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%

DETAILS

MP Biomedicals - 05215571

MP Biomedicals Rare Chemical collection