[bis(propan-2-yloxy)methyl]dimethylamine

• ChemBase ID: 151520
• Molecular Formular: C9H21NO2
• Molecular Mass: 175.26854
• Monoisotopic Mass: 175.15722892
• SMILES: CC(C)OC(N(C)C)OC(C)C
• Canonical SMILES: CC(OC(N(C)C)OC(C)C)C
• InChI: InChI=1S/C9H21NO2/c1-7(2)11-9(10(5)6)12-8(3)4/h7-9H,1-6H3
• InChIKey: XOZZATXWQMOVHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [bis(propan-2-yloxy)methyl]dimethylamine
• IUPAC Traditional name: (diisopropoxymethyl)dimethylamine
• Synonyms: 1,1-Diisopropoxytrimethylamine; 1,1-Diisopropoxy-N,N-dimethylmethylamine; N,N-Dimethylformamide diisopropyl acetal; 1,1-二异丙氧基-N,N-二甲基甲胺; 1,1-二异丙氧基三甲胺; N,N-二甲基甲酰胺二异丙基缩醛

Database IDs

• CAS Number: 18503-89-4
• EC Number: 242-386-5
• MDL Number: MFCD00008879
• Beilstein Number: 1901978
• PubChem SID: 162245673; 24850755
• PubChem CID: 87682

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2762702
• LogD (pH = 7.4): 2.3547297
• Log P: 2.3558276
• Molar Refractivity: 50.6488 cm^3
• Polarizability: 20.215715 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 79-80 °C/60 mmHg(lit.)
• Flash Point: 25 °C; 77 °F
• Density: 0.838 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.401(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 26-36
• 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 1993 3/PG 3

Product Information

• Purity: 95%
• Linear Formula: (CH3)2NCH[OCH(CH3)2]2

DETAILS

Sigma Aldrich - 178535

Packaging
25 g in glass bottle