N-(thiophen-2-ylmethyl)cyclopropanamine

• ChemBase ID: 13423
• Molecular Formular: C8H11NS
• Molecular Mass: 153.24464
• Monoisotopic Mass: 153.06122036
• SMILES: c1cc(sc1)CNC1CC1
• Canonical SMILES: c1csc(c1)CNC1CC1
• InChI: InChI=1S/C8H11NS/c1-2-8(10-5-1)6-9-7-3-4-7/h1-2,5,7,9H,3-4,6H2
• InChIKey: CZJPDZTVBQYPHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(thiophen-2-ylmethyl)cyclopropanamine
• IUPAC Traditional name: N-(thiophen-2-ylmethyl)cyclopropanamine
• Synonyms: N-(thien-2-ylmethyl)cyclopropanamine; N-(Thiophen-2-ylmethyl)cyclopropanamine; Cyclopropyl-thiophen-2-ylmethyl-amine

Database IDs

• CAS Number: 14471-18-2
• MDL Number: MFCD03856576
• PubChem SID: 160976730
• PubChem CID: 3152562

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.127322
• LogD (pH = 7.4): 0.34524006
• Log P: 1.9100405
• Molar Refractivity: 43.4071 cm^3
• Polarizability: 17.13805 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.51

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%