benzyl(thiophen-2-ylmethyl)amine

• ChemBase ID: 91121
• Molecular Formular: C12H13NS
• Molecular Mass: 203.30332
• Monoisotopic Mass: 203.07687042
• SMILES: s1cccc1CNCc1ccccc1
• Canonical SMILES: c1ccc(cc1)CNCc1cccs1
• InChI: InChI=1S/C12H13NS/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-8,13H,9-10H2
• InChIKey: GEWKIDGKZRKUFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(thiophen-2-ylmethyl)amine
• IUPAC Traditional name: benzyl(thiophen-2-ylmethyl)amine
• Synonyms: N-Benzyl-1-(thiophen-2-yl)methanamine; 2-Thienyl N-benzyl methyl amine

Database IDs

• CAS Number: 73325-61-8; 148883-56-1
• MDL Number: MFCD01764729
• PubChem SID: 162077825
• PubChem CID: 961320

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.2534091
• LogD (pH = 7.4): 1.860171
• Log P: 3.1689491
• Molar Refractivity: 60.8085 cm^3
• Polarizability: 23.799154 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%