2-(methylsulfanyl)ethan-1-amine

• ChemBase ID: 9991
• Molecular Formular: C3H9NS
• Molecular Mass: 91.17526
• Monoisotopic Mass: 91.04557029
• SMILES: S(CCN)C
• Canonical SMILES: CSCCN
• InChI: InChI=1S/C3H9NS/c1-5-3-2-4/h2-4H2,1H3
• InChIKey: CYWGSFFHHMQKET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylsulfanyl)ethan-1-amine
• IUPAC Traditional name: 2-(methylsulfanyl)ethanamine
• Synonyms: 2-(Methylthio)ethylamine; 2-(Methylthio)ethylamine; Aminoethyl methyl sulphide 95+%; β-METHYLMERCAPTOETHYLAMINE; 5-Methylcysteamine; 2-(methylsulfanyl)ethan-1-amine; 2-Aminoethyl methyl sulfide; S-Methylcysteamine; 2-(Methylthio)ethylamine; 2-氨乙基甲基硫醚; S-甲基半胱胺; 2-(甲硫基)乙胺

Database IDs

• CAS Number: 18542-42-2
• EC Number: 242-412-5
• MDL Number: MFCD00014825
• Beilstein Number: 1731099
• PubChem SID: 160973298; 24882526; 24885910
• PubChem CID: 87697

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.8388257
• LogD (pH = 7.4): -2.0776885
• Log P: 0.16691028
• Molar Refractivity: 27.0447 cm^3
• Polarizability: 10.847992 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 146-148°C; 146-148°C; 146-149 °C(lit.); 146-149°C
• Flash Point: 36 °C; 36°C; 36°C(96°F); 96.8 °F
• Density: 0.974; 0.98 g/mL at 20 °C(lit.)
• Refractive Index: 1.495; 1.4950; 1.4965; n20/D 1.495(lit.)
• Hydrophobicity(logP): 0.09

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Flammable/Stench/Air Sensitive/Moisture Sensitive/Store under Argon/Store at -20°C; STENCH, FLAMMABLE, CORROSIVE
• European Hazard Symbols: Corrosive (C)
• UN Number: 2734; UN2734
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 10-34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: true; 否
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314; H314-H318-H226
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2734 8/PG 2

Product Information

• Purity: ≥90% (GC); 95%; 97%; TECH
• Grade: technical
• Linear Formula: CH3SCH2CH2NH2

DETAILS

MP Biomedicals - 05226309

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 632929

Packaging
1, 5 g in glass bottle