1-[(diethylamino)methyl]cyclopropan-1-amine dihydrochloride

• ChemBase ID: 144038
• Molecular Formular: C8H20Cl2N2
• Molecular Mass: 215.1638
• Monoisotopic Mass: 214.10035401
• SMILES: CCN(CC)CC1(CC1)N.Cl.Cl
• Canonical SMILES: CCN(CC1(N)CC1)CC.Cl.Cl
• InChI: InChI=1S/C8H18N2.2ClH/c1-3-10(4-2)7-8(9)5-6-8;;/h3-7,9H2,1-2H3;2*1H
• InChIKey: LBJDKZUWJXSZFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(diethylamino)methyl]cyclopropan-1-amine dihydrochloride
• IUPAC Traditional name: 1-[(diethylamino)methyl]cyclopropan-1-amine dihydrochloride
• Synonyms: 1-[(Diethylamino)methyl]cyclopropanamine dihydrochloride

Database IDs

• MDL Number: MFCD18071201
• PubChem SID: 162238255
• PubChem CID: 53398809

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.3522882
• LogD (pH = 7.4): -2.1577454
• Log P: 0.49613482
• Molar Refractivity: 44.5359 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H20Cl2N2

DETAILS

Sigma Aldrich - CBR00665

Other Notes
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Legal Information
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