1-(diethylamino)propan-2-one

• ChemBase ID: 10692
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C(N(CC(=O)C)CC)C
• Canonical SMILES: CCN(CC(=O)C)CC
• InChI: InChI=1S/C7H15NO/c1-4-8(5-2)6-7(3)9/h4-6H2,1-3H3
• InChIKey: GDXMMBDEMOUTNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(diethylamino)propan-2-one
• IUPAC Traditional name: 1-(diethylamino)propan-2-one
• Synonyms: DIETHYLAMINOACETONE; (Diethylamino)acetone; (Diethylamino)acetone; 二乙胺基丙酮

Database IDs

• CAS Number: 1620-14-0
• EC Number: 216-583-1
• MDL Number: MFCD00009050
• PubChem SID: 24894105; 160973999
• PubChem CID: 74176

CALCULATED PROPERTIES

• Log P: 0.7113942
• Molar Refractivity: 39.121 cm^3
• Polarizability: 15.222322 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 18.391998
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.7671651
• LogD (pH = 7.4): -0.001744026

PROPERTIES

Physical Property

• Boiling Point: 64 °C/16 mmHg(lit.); 64°C/ 16mm
• Flash Point: 100.4 °F; 38 °C
• Density: 0.832 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.425(lit.)

Safety Information

• Storage Warning: IRRITANT, FLAMMABLE
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1224
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39
• TSCA Listed: false
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1224 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 96%; 97%
• Linear Formula: (C2H5)2NCH2COCH3

DETAILS

MP Biomedicals - 05210968

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D86000

Packaging
5, 25 g in glass bottle