1-(thiophen-2-yl)ethan-1-amine

• ChemBase ID: 12890
• Molecular Formular: C6H9NS
• Molecular Mass: 127.20736
• Monoisotopic Mass: 127.04557029
• SMILES: c1(sccc1)C(N)C
• Canonical SMILES: CC(c1cccs1)N
• InChI: InChI=1S/C6H9NS/c1-5(7)6-3-2-4-8-6/h2-5H,7H2,1H3
• InChIKey: LYJBVRVJQXVVPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(thiophen-2-yl)ethan-1-amine
• IUPAC Traditional name: 1-(thiophen-2-yl)ethanamine
• Synonyms: [1-(2-thienyl)ethyl]amine hydrochloride; 1-(2-thienyl)ethanamine; 1-thien-2-ylethanamine; alpha-Methyl-2-thiophenemethylamine; 1-(2-Thienyl)ethylamine; 1-Thiophen-2-yl-ethylamine; 1-(Thien-2-yl)ethylamine; 2-(1-Aminoethyl)thiophene; 1-(2-噻吩)乙胺, tech

Database IDs

• CAS Number: 6309-16-6
• MDL Number: MFCD03306021; MFCD02734311
• PubChem SID: 160976197
• PubChem CID: 238233

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5132864
• LogD (pH = 7.4): -0.31940392
• Log P: 1.4284706
• Molar Refractivity: 35.8401 cm^3
• Polarizability: 14.183015 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 83-84°C/16mm
• Density: 1.09
• Refractive Index: 1.5475
• Partition Coefficient: 0.804
• Hydrophobicity(logP): 1.049

Safety Information

• Storage Warning: Air Sensitive; AIR SENSITIVE, CORROSIVE; Corrosive/Air Sensitive/Store under Argon/Keep Cold
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: false; 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: 95%; 95+%; 97%; tech. 90%
• Salt Data: HCl