(2-aminoethyl)(tert-butyl)amine dihydrochloride

• ChemBase ID: 269198
• Molecular Formular: C6H18Cl2N2
• Molecular Mass: 189.12652
• Monoisotopic Mass: 188.08470395
• SMILES: C(NCCN)(C)(C)C.Cl.Cl
• Canonical SMILES: NCCNC(C)(C)C.Cl.Cl
• InChI: InChI=1S/C6H16N2.2ClH/c1-6(2,3)8-5-4-7;;/h8H,4-5,7H2,1-3H3;2*1H
• InChIKey: WLGWNEDOHSCWQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)(tert-butyl)amine dihydrochloride
• IUPAC Traditional name: (2-aminoethyl)(tert-butyl)amine dihydrochloride
• Synonyms: (2-aminoethyl)(tert-butyl)amine dihydrochloride

Database IDs

• MDL Number: MFCD16817515
• PubChem SID: 164325108
• PubChem CID: 50988286

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.780358
• LogD (pH = 7.4): -2.8461719
• Log P: 0.06409737
• Molar Refractivity: 36.4488 cm^3
• Polarizability: 14.858968 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.159

Product Information

• Purity: 95%