[2-(dimethylamino)ethyl](propyl)amine dihydrochloride

• ChemBase ID: 278355
• Molecular Formular: C7H20Cl2N2
• Molecular Mass: 203.1531
• Monoisotopic Mass: 202.10035401
• SMILES: N(CCNCCC)(C)C.Cl.Cl
• Canonical SMILES: CCCNCCN(C)C.Cl.Cl
• InChI: InChI=1S/C7H18N2.2ClH/c1-4-5-8-6-7-9(2)3;;/h8H,4-7H2,1-3H3;2*1H
• InChIKey: XHBYENUFFRZCMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(dimethylamino)ethyl](propyl)amine dihydrochloride
• IUPAC Traditional name: [2-(dimethylamino)ethyl](propyl)amine dihydrochloride
• Synonyms: [2-(dimethylamino)ethyl](propyl)amine dihydrochloride

Database IDs

• MDL Number: MFCD19982551
• PubChem SID: 164334265
• PubChem CID: 53535157

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.613938
• LogD (pH = 7.4): -2.0009212
• Log P: 0.7050964
• Molar Refractivity: 41.9851 cm^3
• Polarizability: 16.705751 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 203 - 205°C
• Hydrophobicity(logP): 1.039

Product Information

• Purity: 95%