1-(thiophen-3-yl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 55748
• Molecular Formular: C7H10ClNS
• Molecular Mass: 175.679
• Monoisotopic Mass: 175.02224801
• SMILES: C1C(C1)(c1cscc1)N.Cl
• Canonical SMILES: NC1(CC1)c1cscc1.Cl
• InChI: InChI=1S/C7H9NS.ClH/c8-7(2-3-7)6-1-4-9-5-6;/h1,4-5H,2-3,8H2;1H
• InChIKey: VIQLEKLDKDIRDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(thiophen-3-yl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 1-(thiophen-3-yl)cyclopropan-1-amine hydrochloride
• Synonyms: [1-(3-Thienyl)cyclopropyl]amine hydrochloride

Database IDs

• MDL Number: MFCD19103327
• PubChem SID: 162060511
• PubChem CID: 56773734

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6858476
• LogD (pH = 7.4): -0.5465981
• Log P: 1.2687894
• Molar Refractivity: 38.738 cm^3
• Polarizability: 15.292497 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false