(2-{[2-(dimethylamino)ethyl]amino}ethyl)dimethylamine

• ChemBase ID: 24846
• Molecular Formular: C8H21N3
• Molecular Mass: 159.27244
• Monoisotopic Mass: 159.17354769
• SMILES: N(CCNCCN(C)C)(C)C
• Canonical SMILES: CN(CCNCCN(C)C)C
• InChI: InChI=1S/C8H21N3/c1-10(2)7-5-9-6-8-11(3)4/h9H,5-8H2,1-4H3
• InChIKey: JPJMSWSYYHNPLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{[2-(dimethylamino)ethyl]amino}ethyl)dimethylamine
• IUPAC Traditional name: (2-{[2-(dimethylamino)ethyl]amino}ethyl)dimethylamine
• Synonyms: N'-[2-(Dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine; (2-{[2-(dimethylamino)ethyl]amino}ethyl)dimethylamine

Database IDs

• CAS Number: 40538-81-6
• MDL Number: MFCD00048016
• PubChem SID: 160988153
• PubChem CID: 97514

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.838269
• LogD (pH = 7.4): -2.8700552
• Log P: -0.15558943
• Molar Refractivity: 50.7316 cm^3
• Polarizability: 20.071333 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.48

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%