N,N-dimethyl-1,3-dioxolan-2-amine

• ChemBase ID: 156536
• Molecular Formular: C5H11NO2
• Molecular Mass: 117.14634
• Monoisotopic Mass: 117.0789786
• SMILES: CN(C)C1OCCO1
• Canonical SMILES: CN(C1OCCO1)C
• InChI: InChI=1S/C5H11NO2/c1-6(2)5-7-3-4-8-5/h5H,3-4H2,1-2H3
• InChIKey: MPMQNXVIUFUDEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-1,3-dioxolan-2-amine
• IUPAC Traditional name: N,N-dimethyl-1,3-dioxolan-2-amine
• Synonyms: 2-Dimethylamino-1,3-dioxolane; N,N-Dimethylformamide ethylene acetal; 2-二甲基氨基-1,3-二氧杂环戊烷; N,N-二甲基甲酰胺乙烯基乙缩醛

Database IDs

• CAS Number: 19449-26-4
• EC Number: 243-075-7
• MDL Number: MFCD00014105
• Beilstein Number: 773813
• PubChem SID: 24865094; 162250673
• PubChem CID: 88072

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.6077473
• LogD (pH = 7.4): 0.6371486
• Log P: 0.63753664
• Molar Refractivity: 30.345 cm^3
• Polarizability: 12.143482 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 142-144 °C(lit.)
• Flash Point: 100.4 °F; 38 °C
• Density: 1.015 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.429

Safety Information

• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10
• Safety Statements: 23-24/25
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: ≥90% (NT)
• Grade: technical
• Impurities: some dimethylformamide
• Empirical Formula (Hill Notation): C5H11NO2

DETAILS

Sigma Aldrich - 40251

Other Notes
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