1-(dimethylamino)propan-2-one

• ChemBase ID: 10707
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: N(CC(=O)C)(C)C
• Canonical SMILES: CN(CC(=O)C)C
• InChI: InChI=1S/C5H11NO/c1-5(7)4-6(2)3/h4H2,1-3H3
• InChIKey: VFPKIWATTACVJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dimethylamino)propan-2-one
• IUPAC Traditional name: 1-(dimethylamino)propan-2-one
• Synonyms: 1-Dimethylamino-2-propanone; (Dimethylamino)acetone; DIMETHYLAMINOACETONE; 1-(Dimethylamino)-2-propanone; 1-二甲胺基-2-丙酮; (二甲胺基)丙酮

Database IDs

• CAS Number: 15364-56-4
• EC Number: 239-402-8
• MDL Number: MFCD00008766
• Beilstein Number: 1740823
• PubChem SID: 24846773; 160974014
• PubChem CID: 84883

CALCULATED PROPERTIES

• Acid pKa: 18.434416
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.9724282
• LogD (pH = 7.4): -0.3441111
• Log P: -0.0022217033
• Molar Refractivity: 29.6238 cm^3
• Polarizability: 11.537048 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 119°C; 119-120 °C(lit.)
• Flash Point: 30 °C; 86 °F
• Density: 0.883; 0.883 g/mL at 25 °C(lit.)
• Refractive Index: 1.414; n20/D 1.414(lit.)

Safety Information

• Storage Warning: IRRITANT, CORROSIVE
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1224
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-38
• Safety Statements: 23
• TSCA Listed: false
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315
• 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

Product Information

• Purity: 97%; 98%
• Linear Formula: CH3COCH2N(CH3)2

DETAILS

MP Biomedicals - 05205114

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 107697

Packaging
1 g in glass bottle