1-cyclopropylethan-1-amine hydrochloride

• ChemBase ID: 30606
• Molecular Formular: C5H12ClN
• Molecular Mass: 121.60848
• Monoisotopic Mass: 121.06582707
• SMILES: C1(CC1)C(N)C.Cl
• Canonical SMILES: CC(C1CC1)N.Cl
• InChI: InChI=1S/C5H11N.ClH/c1-4(6)5-2-3-5;/h4-5H,2-3,6H2,1H3;1H
• InChIKey: WZWFMMNJURDPFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropylethan-1-amine hydrochloride
• IUPAC Traditional name: 1-cyclopropylethanamine hydrochloride
• Synonyms: 1-Cyclopropylethylamine hydrochloride; 1-cyclopropylethanamine hydrochloride; 1-Cyclopropyl-ethylamine hydrochloride

Database IDs

• CAS Number: 42390-64-7
• MDL Number: MFCD06685893
• PubChem SID: 160993913
• PubChem CID: 16247869

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.4562607
• LogD (pH = 7.4): -2.171581
• Log P: 0.5716934
• Molar Refractivity: 26.2796 cm^3
• Polarizability: 10.75224 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 167 - 169°C
• Hydrophobicity(logP): 0.618

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%
• Salt Data: HCl