(3-aminopropyl)[2-(diethylamino)ethyl]amine

• ChemBase ID: 24298
• Molecular Formular: C9H23N3
• Molecular Mass: 173.29902
• Monoisotopic Mass: 173.18919775
• SMILES: N(CCNCCCN)(CC)CC
• Canonical SMILES: NCCCNCCN(CC)CC
• InChI: InChI=1S/C9H23N3/c1-3-12(4-2)9-8-11-7-5-6-10/h11H,3-10H2,1-2H3
• InChIKey: RSXRRHHZYNMQRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminopropyl)[2-(diethylamino)ethyl]amine
• IUPAC Traditional name: (3-aminopropyl)[2-(diethylamino)ethyl]amine
• Synonyms: N1-[2-(Diethylamino)ethyl]-1,3-propanediamine

Database IDs

• MDL Number: MFCD10687263
• PubChem SID: 160987605
• PubChem CID: 28306996

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -7.25165
• LogD (pH = 7.4): -4.652162
• Log P: -0.1976421
• Molar Refractivity: 55.0249 cm^3
• Polarizability: 21.917875 Å^3
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false