(dipropoxymethyl)dimethylamine

• ChemBase ID: 150313
• Molecular Formular: C9H21NO2
• Molecular Mass: 175.26854
• Monoisotopic Mass: 175.15722892
• SMILES: CCCOC(N(C)C)OCCC
• Canonical SMILES: CCCOC(N(C)C)OCCC
• InChI: InChI=1S/C9H21NO2/c1-5-7-11-9(10(3)4)12-8-6-2/h9H,5-8H2,1-4H3
• InChIKey: NSLGQFIDCADTAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (dipropoxymethyl)dimethylamine
• IUPAC Traditional name: (dipropoxymethyl)dimethylamine
• Synonyms: 1,1-Dipropoxytrimethylamine; 1,1-Dipropoxy-N,N-dimethylmethylamine; N,N-Dimethylformamide dipropyl acetal; 1,1-Di-n-propoxy-N,N-dimethylmethylamine; N,N-Dimethylformamide di-n-propyl acetal; 1,1-二丙氧基-N,N-二甲基甲胺; 1,1-二丙氧基三甲胺; N,N-二甲基甲酰胺二丙基缩醛; N,N-二甲基甲酰胺二正丙基乙缩醛

Database IDs

• CAS Number: 6006-65-1
• EC Number: 227-855-4
• MDL Number: MFCD00009374
• Beilstein Number: 1098524
• PubChem SID: 24864633; 24850754; 162244474; 24865124
• PubChem CID: 80105

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5001528
• LogD (pH = 7.4): 2.5668027
• Log P: 2.5677223
• Molar Refractivity: 50.8592 cm^3
• Polarizability: 20.215715 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 67-68 °C/14 mmHg(lit.); 67-68°C/14mm
• Flash Point: 114.8 °F; 46 °C; 46°C(115°F)
• Density: 0.854; 0.854 g/mL at 25 °C(lit.)
• Refractive Index: 1.4088; n20/D 1.409; n20/D 1.409(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10; 36/37/38
• Safety Statements: 26-36
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226; H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, 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: ≥97.0% (NT); 97%
• Grade: for GC derivatization; purum
• Linear Formula: (CH3)2NCH(OCH2CH2CH3)2

DETAILS

Sigma Aldrich - 178527

Packaging
25 g in glass bottle

Sigma Aldrich - 394998

Packaging
10×1, 5, 25 mL in ampule

Sigma Aldrich - 40283

Other Notes
Review1