[3-(diethylamino)propyl](methyl)amine

• ChemBase ID: 24510
• Molecular Formular: C8H20N2
• Molecular Mass: 144.2578
• Monoisotopic Mass: 144.16264865
• SMILES: N(CCCNC)(CC)CC
• Canonical SMILES: CNCCCN(CC)CC
• InChI: InChI=1S/C8H20N2/c1-4-10(5-2)8-6-7-9-3/h9H,4-8H2,1-3H3
• InChIKey: SMJVVYQWUFKTKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(diethylamino)propyl](methyl)amine
• IUPAC Traditional name: [3-(diethylamino)propyl](methyl)amine
• Synonyms: N1,N1-Diethyl-N3-methyl-1,3-propanediamine; [3-(diethylamino)propyl](methyl)amine

Database IDs

• CAS Number: 5459-95-0
• MDL Number: MFCD00026748
• PubChem SID: 160987817
• PubChem CID: 79577

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.4983344
• LogD (pH = 7.4): -3.4293242
• Log P: 0.5993417
• Molar Refractivity: 47.0751 cm^3
• Polarizability: 18.552586 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.297

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%