(3-methylthiophen-2-yl)methanamine

• ChemBase ID: 86398
• Molecular Formular: C6H9NS
• Molecular Mass: 127.20736
• Monoisotopic Mass: 127.04557029
• SMILES: s1c(c(cc1)C)CN
• Canonical SMILES: NCc1sccc1C
• InChI: InChI=1S/C6H9NS/c1-5-2-3-8-6(5)4-7/h2-3H,4,7H2,1H3
• InChIKey: SWZNXCABBUKIPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methylthiophen-2-yl)methanamine
• IUPAC Traditional name: (3-methylthiophen-2-yl)methanamine
• Synonyms: 1-(3-methyl-2-thienyl)methanamine; (3-Methylthien-2-yl)methylamine; 2-(Aminomethyl)-3-methylthiophene; 2-Aminomethyl-3-methylthiophene; 3-Methylthiophene-2-methylamine; 3-甲基噻吩-2-甲基胺

Database IDs

• CAS Number: 104163-35-1
• EC Number: 000-000-0
• MDL Number: MFCD02093988
• Beilstein Number: 108864
• PubChem SID: 162073514
• PubChem CID: 2798756

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4018543
• LogD (pH = 7.4): -0.15536062
• Log P: 1.5253171
• Molar Refractivity: 36.4625 cm^3
• Polarizability: 14.098844 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 78°C/4mm; 78°C/4mm
• Refractive Index: 1.5565

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Air Sensitive/Store under Argon/Keep Cold
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 98%