N-(thiophen-3-ylmethyl)cyclopropanamine

• ChemBase ID: 262363
• Molecular Formular: C8H11NS
• Molecular Mass: 153.24464
• Monoisotopic Mass: 153.06122036
• SMILES: c1(cscc1)CNC1CC1
• Canonical SMILES: c1scc(c1)CNC1CC1
• InChI: InChI=1S/C8H11NS/c1-2-8(1)9-5-7-3-4-10-6-7/h3-4,6,8-9H,1-2,5H2
• InChIKey: ZRAZEIFZGQCHCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(thiophen-3-ylmethyl)cyclopropanamine
• IUPAC Traditional name: N-(thiophen-3-ylmethyl)cyclopropanamine
• Synonyms: N-(3-thienylmethyl)cyclopropanamine; N-(thiophen-3-ylmethyl)cyclopropanamine

Database IDs

• CAS Number: 892593-19-0
• MDL Number: MFCD07411622
• PubChem SID: 164318273
• PubChem CID: 4723868

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2942572
• LogD (pH = 7.4): 0.11874378
• Log P: 1.7776011
• Molar Refractivity: 43.623 cm^3
• Polarizability: 17.135403 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.74

Product Information

• Purity: 95%