[(3-methoxythiophen-2-yl)methyl](methyl)amine

• ChemBase ID: 77941
• Molecular Formular: C7H11NOS
• Molecular Mass: 157.23334
• Monoisotopic Mass: 157.05613498
• SMILES: s1c(c(cc1)OC)CNC
• Canonical SMILES: CNCc1sccc1OC
• InChI: InChI=1S/C7H11NOS/c1-8-5-7-6(9-2)3-4-10-7/h3-4,8H,5H2,1-2H3
• InChIKey: HDALHOAZSOWZLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-methoxythiophen-2-yl)methyl](methyl)amine
• IUPAC Traditional name: [(3-methoxythiophen-2-yl)methyl](methyl)amine
• Synonyms: N-methyl-(3-methoxythien-2-yl)methylamine; (3-Methoxythiophen-2-yl)-N-methylmethylamine; 3-Methoxy-2-[(methylamino)methyl]thiophene

Database IDs

• CAS Number: 944450-93-5
• MDL Number: MFCD11841072
• PubChem SID: 162042782
• PubChem CID: 43811050

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6462059
• LogD (pH = 7.4): -0.053703982
• Log P: 1.2868048
• Molar Refractivity: 42.6591 cm^3
• Polarizability: 16.701164 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%