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

• ChemBase ID: 34827
• Molecular Formular: C6H9NS
• Molecular Mass: 127.20736
• Monoisotopic Mass: 127.04557029
• SMILES: s1c(ccc1)CCN
• Canonical SMILES: NCCc1cccs1
• InChI: InChI=1S/C6H9NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2
• InChIKey: HVLUYXIJZLDNIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(thiophen-2-yl)ethan-1-amine
• IUPAC Traditional name: thiopheneethanamine
• Synonyms: 2-Thien-2-ylethanamine; 2-(Thien-2-yl)ethylamine; 2-(2-Aminoethyl)thiophene; 2-(thiophen-2-yl)ethanamine; 2-(2-Aminoethyl)thiophene; 2-(2-Thienyl)ethylamine; 2-(2-thienyl)ethanamine; 2-Thiopheneethylamine; 噻吩-2-乙胺; 2-噻吩乙胺

Database IDs

• CAS Number: 64059-34-3; 30433-91-1
• EC Number: 250-196-9
• MDL Number: MFCD00051495
• Beilstein Number: 106962
• PubChem SID: 160998134; 24866483
• PubChem CID: 116521

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6962632
• LogD (pH = 7.4): -0.8360078
• Log P: 1.3005568
• Molar Refractivity: 36.2867 cm^3
• Polarizability: 14.103167 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 174 - 175°C
• Boiling Point: 200-201 °C/750 mmHg(lit.); 201°C; 201°C
• Flash Point: 190.4 °F; 87°C; 87°C(188°F); 88 °C
• Density: 1.087; 1.087 g/mL at 25 °C(lit.)
• Refractive Index: 1.5510; n20/D 1.551(lit.)
• Hydrophobicity(logP): 1.079

Safety Information

• Storage Warning: Air Sensitive; AIR SENSITIVE, CORROSIVE; Corrosive/Harmful/Air Sensitive/Keep Cold/Store under Argon
• European Hazard Symbols: Corrosive (C); Harmful (Xn)
• UN Number: UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38; 34
• Safety Statements: 26-36; 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335; H314-H318-H227
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%; 96%; 98%
• Empirical Formula (Hill Notation): C6H9NS

DETAILS

Sigma Aldrich - 423270

Packaging
1, 5 g in glass bottle