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

• ChemBase ID: 107026
• Molecular Formular: C7H13N
• Molecular Mass: 111.18482
• Monoisotopic Mass: 111.10479942
• SMILES: CCN(CC)CC#C
• Canonical SMILES: CCN(CC#C)CC
• InChI: InChI=1S/C7H13N/c1-4-7-8(5-2)6-3/h1H,5-7H2,2-3H3
• InChIKey: JZJXKEWVUBVOEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl(prop-2-yn-1-yl)amine
• IUPAC Traditional name: 2-propyn-1-amine, N,N-diethyl-
• Synonyms: 3-DIETHYLAMINO-1-PROPYNE; 1-DIETHYLAMINO-2-PROPYNE; 3-Diethylamino-1-propyne; N,N-Diethylpropargylamine; N,N-Diethylpropargylamine; 3-Diethylamino-1-propyne; 3-二乙基氨基-1-丙炔

Database IDs

• CAS Number: 4079-68-9
• EC Number: 223-804-5
• MDL Number: MFCD00039881
• Beilstein Number: 1098468
• PubChem SID: 162093490; 24858885; 24858884
• PubChem CID: 20010

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.0771291
• LogD (pH = 7.4): -0.49137768
• Log P: 1.1318684
• Molar Refractivity: 37.0655 cm^3
• Polarizability: 14.080099 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 118-120 °C(lit.); 119-120°C
• Flash Point: 20 °C; 20°C(68°F); 68 °F
• Density: 0.80 g/mL at 20 °C(lit.); 0.804
• Refractive Index: 1.4305; n20/D 1.434

Safety Information

• Storage Warning: Air & Light Sensitive
• RTECS: UK5775000
• European Hazard Symbols: Corrosive (C); Flammable (F); Highly flammable (F+); X; Harmful (Xn)
• UN Number: 2733; UN2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-20/21/22-34; 11-20/21/22-36-41; 11-21/22-34; R:22-27
• Safety Statements: 16-26-36/37/39; 16-26-36/37/39-45; 26-36/37/39-45; S:36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H311-H314; H225-H311-H302-H332-H314-H318
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310; P210-P280-P305+P351+P338-P309-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

Product Information

• Purity: ≥90% (GC); ≥99.0% (GC); 98+%
• Grade: for protein sequence analysis; technical
• Linear Formula: HC≡CCH2N(CH2CH3)2

DETAILS

MP Biomedicals - 05208955

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05202272

MP Biomedicals Rare Chemical collection