[4-(diethylamino)but-2-yn-1-yl]diethylamine

• ChemBase ID: 111437
• Molecular Formular: C12H24N2
• Molecular Mass: 196.33236
• Monoisotopic Mass: 196.19394878
• SMILES: CCN(CC)CC#CCN(CC)CC
• Canonical SMILES: CCN(CC#CCN(CC)CC)CC
• InChI: InChI=1S/C12H24N2/c1-5-13(6-2)11-9-10-12-14(7-3)8-4/h5-8,11-12H2,1-4H3
• InChIKey: ZSHOGSSMVWJOGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(diethylamino)but-2-yn-1-yl]diethylamine
• IUPAC Traditional name: [4-(diethylamino)but-2-yn-1-yl]diethylamine
• Synonyms: N,N,N',N'-TETRAETHYL-2-BUTYNE-1,4-DIAMINE

Database IDs

• CAS Number: 20202-01-1
• PubChem SID: 162097181
• PubChem CID: 7740

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -3.9336734
• LogD (pH = 7.4): -0.5902512
• Log P: 2.1098897
• Molar Refractivity: 65.565 cm^3
• Polarizability: 24.832052 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05219178

MP Biomedicals Rare Chemical collection