1-(5-bromothiophen-2-yl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 238237
• Molecular Formular: C7H9BrClNS
• Molecular Mass: 254.57506
• Monoisotopic Mass: 252.93275997
• SMILES: C1(c2sc(cc2)Br)(CC1)N.Cl
• Canonical SMILES: NC1(CC1)c1ccc(s1)Br.Cl
• InChI: InChI=1S/C7H8BrNS.ClH/c8-6-2-1-5(10-6)7(9)3-4-7;/h1-2H,3-4,9H2;1H
• InChIKey: NPFIKPIDUHRMNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-bromothiophen-2-yl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 1-(5-bromothiophen-2-yl)cyclopropan-1-amine hydrochloride
• Synonyms: 1-(5-bromothiophen-2-yl)cyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22375360
• PubChem SID: 164294147
• PubChem CID: 71756128

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5030529
• LogD (pH = 7.4): 0.94626355
• Log P: 2.3359776
• Molar Refractivity: 45.3048 cm^3
• Polarizability: 18.19325 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.989

Product Information

• Purity: 95%