1-ethylcyclobutan-1-amine hydrochloride

• ChemBase ID: 286164
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: C1(N)(CCC1)CC.Cl
• Canonical SMILES: CCC1(N)CCC1.Cl
• InChI: InChI=1S/C6H13N.ClH/c1-2-6(7)4-3-5-6;/h2-5,7H2,1H3;1H
• InChIKey: LQBCARXTRBJCNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethylcyclobutan-1-amine hydrochloride
• IUPAC Traditional name: 1-ethylcyclobutan-1-amine hydrochloride
• Synonyms: 1-ethylcyclobutan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD21602733
• PubChem SID: 180671695
• PubChem CID: 72135074

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9409143
• LogD (pH = 7.4): -1.6867788
• Log P: 1.0877734
• Molar Refractivity: 30.8932 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 226 - 228°C
• Hydrophobicity(logP): 1.297

Product Information

• Purity: 95%