ethyl(methyl)amine

• ChemBase ID: 2135
• Molecular Formular: C3H9N
• Molecular Mass: 59.11026
• Monoisotopic Mass: 59.07349929
• SMILES: CCNC
• Canonical SMILES: CNCC
• InChI: InChI=1S/C3H9N/c1-3-4-2/h4H,3H2,1-2H3
• InChIKey: LIWAQLJGPBVORC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(methyl)amine
• IUPAC Traditional name: N-methylethanamine; methylethylamine
• Synonyms: (Methylamino)ethane; N-Ethylmethylamine; N-Methylethylamine 97%; Ethylmethylamine; Methylaminoethane; Methylethylamine; N-Methyl-N-ethylamine; N-Methylethanamine; N-Ethylmethylamine; Methylethylamine; NMEA; N-Methylethylamine; N-Ethylmethylamine; ethyl(methyl)amine; N-甲基乙胺; N-乙基甲基胺

Database IDs

• CAS Number: 624-78-2
• EC Number: 210-862-1
• MDL Number: MFCD00009030
• Beilstein Number: 1730786
• PubChem SID: 24845722; 160965589; 24857515; 46507472
• PubChem CID: 12219

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.0711794
• LogD (pH = 7.4): -2.7213953
• Log P: 0.16392948
• Molar Refractivity: 19.442 cm^3
• Polarizability: 7.800994 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 0.13
• LOG S: 0.85
• Solubility (Water): 4.18e+02 g/l

PROPERTIES

Physical Property

• Boiling Point: 33-34°C; 36-37 °C(lit.); 36-37°C
• Flash Point: <-29.2 °F; <-34 °C; <-34°C(-29°F); -34°C
• Density: 0.688; 0.688 g/mL at 25 °C(lit.)
• Refractive Index: 1.3740; n20/D 1.374; n20/D 1.374(lit.)
• Vapor Pressure: 8.53 psi ( 20 °C)
• Hydrophobicity(logP): 0.011; 0.15 [HANSCH,C ET AL. (1995)]

Safety Information

• Storage Warning: Air Sensitive & Hygroscopic; Highly Flammable/Corrosive/Harmful/Air Sensitive/Hygroscopic/Store under Argon/Keep Cold
• European Hazard Symbols: Corrosive (C); Flammable (F); Highly flammable (F+)
• UN Number: 2733; UN2733
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2; I
• Risk Statements: 11-20/21/22-35; 12-34
• Safety Statements: 26-36/37/39-45; 3/7-9-26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H314-H318; H225-H302-H312-H314-H332
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2733 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (GC); 95%; 97%; 98+%
• Grade: purum
• Linear Formula: C2H5NHCH3

DETAILS

DrugBank - DB02396

Drug information: experimental

Apollo Scientific Ltd - OR30626

Cylinder - 1/4" NPTM connection

Sigma Aldrich - 291145

Packaging
5, 25 g in glass bottle