1-(propan-2-yl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 144061
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: CC(C)C1(CC1)N.Cl
• Canonical SMILES: CC(C1(N)CC1)C.Cl
• InChI: InChI=1S/C6H13N.ClH/c1-5(2)6(7)3-4-6;/h5H,3-4,7H2,1-2H3;1H
• InChIKey: FRYRHRZAXFICJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(propan-2-yl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 1-isopropylcyclopropan-1-amine hydrochloride
• Synonyms: (1-Isopropylcyclopropyl)amine hydrochloride

Database IDs

• MDL Number: MFCD18071227
• PubChem SID: 162238278
• PubChem CID: 53398895

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0182838
• LogD (pH = 7.4): -1.6775408
• Log P: 1.0081775
• Molar Refractivity: 30.7638 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C6H14ClN

DETAILS

Sigma Aldrich - CBR00890

Other Notes
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Legal Information
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