(3-methoxythiophen-2-yl)methanamine

• ChemBase ID: 77940
• Molecular Formular: C6H9NOS
• Molecular Mass: 143.20676
• Monoisotopic Mass: 143.04048491
• SMILES: s1ccc(c1CN)OC
• Canonical SMILES: COc1ccsc1CN
• InChI: InChI=1S/C6H9NOS/c1-8-5-2-3-9-6(5)4-7/h2-3H,4,7H2,1H3
• InChIKey: GDDVAKBOBBYCLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methoxythiophen-2-yl)methanamine
• IUPAC Traditional name: (3-methoxythiophen-2-yl)methanamine
• Synonyms: (3-methoxythien-2-yl)methylamine; (3-Methoxythien-2-yl)methylamine; 2-(Aminomethyl)-3-methoxythiophene

Database IDs

• CAS Number: 946409-37-6
• MDL Number: MFCD11841071
• PubChem SID: 162042781
• PubChem CID: 43811049

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9053237
• LogD (pH = 7.4): -0.35596135
• Log P: 0.8542244
• Molar Refractivity: 37.8845 cm^3
• Polarizability: 14.864714 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Keep Cold

Product Information

• Purity: 95%