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

• ChemBase ID: 107039
• Molecular Formular: C5H9N
• Molecular Mass: 83.13166
• Monoisotopic Mass: 83.07349929
• SMILES: CN(C)CC#C
• Canonical SMILES: CN(CC#C)C
• InChI: InChI=1S/C5H9N/c1-4-5-6(2)3/h1H,5H2,2-3H3
• InChIKey: ILBIXZPOMJFOJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(prop-2-yn-1-yl)amine
• IUPAC Traditional name: dimethyl(prop-2-yn-1-yl)amine
• Synonyms: 3-DIMETHYLAMINO-1-PROPYNE; N,N-dimethylprop-2-yn-1-amine; 1-Dimethylamino-2-propyne; N,N-Dimethyl-2-propynylamine; N,N-Dimethylpropargylamine; 3-Dimethylamino-1-propyne; N,N-Dimethyl-2-propyn-1-amine; 1-Dimethylamino-2-propyne; N,N-二甲基-2-丙炔基胺; N,N-二甲基炔丙胺; 1-二甲基胺-2-丙炔; 1-二甲基氨基-2-丙炔

Database IDs

• CAS Number: 7223-38-3
• EC Number: 230-620-9
• MDL Number: MFCD00008575
• Beilstein Number: 1071222
• PubChem SID: 162094275; 24848572; 24864512
• PubChem CID: 81643

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.4797163
• LogD (pH = 7.4): -0.7334635
• Log P: 0.4182525
• Molar Refractivity: 27.5683 cm^3
• Polarizability: 10.386352 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 79-83 °C(lit.); 80-81°C
• Flash Point: 17.6 °F; -7°C(19°F); -8 °C
• Density: 0.772; 0.772 g/mL at 25 °C(lit.)
• Refractive Index: 1.4200; n20/D 1.419(lit.); n20/D 1.420

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F); X
• UN Number: 2733; UN2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-21/22-34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H311-H314-H318; H225-H302-H311-H314
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310; P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A
• 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

Product Information

• Purity: ≥97.0% (GC); 97%; 98%
• Grade: purum
• Linear Formula: (CH3)2NCH2C≡CH

DETAILS

MP Biomedicals - 05202312

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 143065

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 39330

Caution
may discolor to yellow on storage