1-(piperidin-1-ylmethyl)cyclopropan-1-amine dihydrochloride

• ChemBase ID: 71990
• Molecular Formular: C9H20Cl2N2
• Molecular Mass: 227.1745
• Monoisotopic Mass: 226.10035401
• SMILES: C1C(C1)(N)CN1CCCCC1.Cl.Cl
• Canonical SMILES: NC1(CC1)CN1CCCCC1.Cl.Cl
• InChI: InChI=1S/C9H18N2.2ClH/c10-9(4-5-9)8-11-6-2-1-3-7-11;;/h1-8,10H2;2*1H
• InChIKey: SENSNWVWDFJLBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-1-ylmethyl)cyclopropan-1-amine dihydrochloride
• IUPAC Traditional name: 1-(piperidin-1-ylmethyl)cyclopropan-1-amine dihydrochloride
• Synonyms: [1-(Piperidin-1-ylmethyl)cyclopropyl]-amine dihydrochloride; 1-(Piperidin-1-ylmethyl)cyclopropanamine dihydrochloride

Database IDs

• MDL Number: MFCD09971211; MFCD18071202
• PubChem SID: 162037254
• PubChem CID: 47000779

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1997447
• LogD (pH = 7.4): -1.9703966
• Log P: 0.63288504
• Molar Refractivity: 47.1807 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT

Product Information

• Empirical Formula (Hill Notation): C9H20Cl2N2

DETAILS

Sigma Aldrich - CBR00666

Other Notes
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Legal Information
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