methyl(prop-2-yn-1-yl)amine

• ChemBase ID: 147153
• Molecular Formular: C4H7N
• Molecular Mass: 69.10508
• Monoisotopic Mass: 69.05784923
• SMILES: CNCC#C
• Canonical SMILES: CNCC#C
• InChI: InChI=1S/C4H7N/c1-3-4-5-2/h1,5H,4H2,2H3
• InChIKey: HQFYIDOMCULPIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(prop-2-yn-1-yl)amine
• IUPAC Traditional name: 2-propyn-1-amine, N-methyl-
• Synonyms: 3-Methylamino-1-propyne; N-Methylpropargylamine; 3-Methylaminoprop-1-yne; Methyl(2-propynyl)amine; Methyl(propargyl)amine; N-(2-Propynyl)methylamine; N-Methyl-2-propyn-1-amine; N-Methyl-N-2-propynylamine; N-Methyl-N-propargylamine; NSC 56897; N-Methylpropargylamine; 3-甲氨基-1-丙炔; N-甲基炔丙基胺

Database IDs

• CAS Number: 35161-71-8
• EC Number: 252-411-1
• MDL Number: MFCD00008573
• Beilstein Number: 1071242
• PubChem SID: 24848850; 162241344; 24885859
• PubChem CID: 96160

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.0868108
• LogD (pH = 7.4): -1.7930999
• Log P: 0.035204574
• Molar Refractivity: 22.2736 cm^3
• Polarizability: 8.539584 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 82-84 °C(lit.)
• Flash Point: 1 °C; 33.8 °F
• Density: 0.819 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.432; n20/D 1.432(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-34-37
• Safety Statements: 9-16-26-33-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314
• GHS Precautionary statements: P210-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 2733 3/PG 2
• Storage Temperature: 2-8°C

Pharmacology Properties

• Gene Information: rat ... Maoa(29253), Maob(25750)

Product Information

• Purity: ≥90% (GC); 95%
• Grade: technical
• Impurities: ≤3% water; 2-3% water
• Linear Formula: HC≡CCH2NHCH3

DETAILS

Sigma Aldrich - 150223

Application
Reacts with supercritical carbon dioxide to give 5-alkyidene oxazolidinones.1
Packaging
1, 5 g in glass bottle

Toronto Research Chemicals - M326535

N-Methylpropargylamine is a metabolite of Pargyline. N-Methylpropargylamine, like other propynylamine, has inhibitory effect on monoamine oxidase.

REFERENCES

• Diehl, E. et al.: J. Phatmacol., 7, 563 (1976)
• Martin, Y.C. et al.: J. Med. Chem., 18, 883 (1976)
• Ali, A. et al.: J. Pharm. Pharmacol., 43, 750 (1976)