cyclopropyl(thiophen-2-yl)methanamine

• ChemBase ID: 252606
• Molecular Formular: C8H11NS
• Molecular Mass: 153.24464
• Monoisotopic Mass: 153.06122036
• SMILES: C1(CC1)C(c1sccc1)N
• Canonical SMILES: NC(c1cccs1)C1CC1
• InChI: InChI=1S/C8H11NS/c9-8(6-3-4-6)7-2-1-5-10-7/h1-2,5-6,8H,3-4,9H2
• InChIKey: AAQQXHHWWFZBRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropyl(thiophen-2-yl)methanamine
• IUPAC Traditional name: cyclopropyl(thiophen-2-yl)methanamine
• Synonyms: 1-cyclopropyl-1-thien-2-ylmethanamine

Database IDs

• MDL Number: MFCD05191949
• PubChem SID: 164308516
• PubChem CID: 5015827

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1115472
• LogD (pH = 7.4): -0.017185468
• Log P: 1.85224
• Molar Refractivity: 43.0335 cm^3
• Polarizability: 17.137959 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.493

Product Information

• Purity: 95%