Basic information
- CAS
1188-33-6- Standard SMILES
CCOC(OCC)N(C)C- InChIKey
BWKAYBPLDRWMCJ-UHFFFAOYSA-N- Molecular formula
- C7H17NO2
- Average molar mass
- 147.22 g/mol
- Monoisotopic mass
- 147.12592878
Names & identifiers
- Preferred name
- Dimethylformamide diethylacetal
- IUPAC
- 1,1-diethoxy-N,N-dimethylmethanamine
- English name
- N,N-Dimethyformamide diethy acetal
- Molecular formula
- C7H17NO2
- Molecular weight
- 147.22
Names & synonyms
1188-33-61,1-Diethoxy-N,N-dimethylmethanamineN,N-Dimethylformamide diethyl acetal1,1-DiethoxytrimethylamineMethanamine, 1,1-diethoxy-N,N-dimethyl-(diethoxymethyl)dimethylaminedimethylformamide diethylacetalQOJ5HYK225EINECS 214-707-9NSC 377652NSC-377652AI3-36612
Show more names
N,N-DimethyformamideDiethoxy-N,N-dimethylmethanamineDMF-DIETHYLACETALformamide diethyLFlumazenil EP Impurity CFlumazenil impurity C (EP)
Dimethylformamide diethyl acetalDTXSID5061584BWKAYBPLDRWMCJ-UHFFFAOYSA-FLUMAZENIL IMPURITY C [EP IMPURITY]DIMETHYLFORMAMIDE DIETHYLACETAL [USP IMPURITY]FLUMAZENIL IMPURITY C (EP IMPURITY)DIMETHYLFORMAMIDE DIETHYLACETAL (USP IMPURITY)1,1Diethoxytrimethylamine
Database identifiers
- CAS
1188-33-6- PubChem CID
- 70913
- DTXSID
DTXSID5061584- UNII
- QOJ5HYK225
- EC Number
- 214-707-9
- Nikkaji
- J150.716H
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 70
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 178 · 178-180 °C(Solv: ethanol (64-17-5))
- Boiling point
- 170 °C · 170 °C(lit.)
- Density
- 0.859 g/mL · 0.859 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.411(lit.)
- Flash point
- 72 °F · 72 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Soluble), DMSO (Slightly), Methanol (Slightly)
- pka
- 5.31 · 5.31±0.50(Predicted)
- form
- clear liquid
- color
- Colorless to Light yellow
- Specific Gravity
- 0.861 · 0.861 (20/4℃)
- Sensitive
- Moisture Sensitive
- BRN
- 741889 · 741889
- Stability
- Moisture Sensitive
- InChI
- 1S/C7H17NO2/c1-5-9-7(8(3)4)10-6-2/h7H,5-6H2,1-4H3
- InChIKey
- BWKAYBPLDRWMCJ-UHFFFAOYSA-N
- SMILES
- CCOC(OCC)N(C)C
- CAS DataBase Reference
- 1188 · 1188-33-6(CAS DataBase Reference)
- FDA UNII
- 5 HYK225 · QOJ5HYK225
- NIST Chemistry Reference
- N,N-Dimethylformamide diethylacetal(1188-33-6)
- EPA Substance Registry System
- 1 · Methanamine, 1,1-diethoxy-N,N-dimethyl- (1188-33-6)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 210 · P210-P370+P378
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 10 · 10-36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29225000 · 29225000
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 · Flam. Liq. 3
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (12.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationN,N-Dimethylformamide diethyl acetal: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See N,N-Dimethylformamide dimethyl acetal.
Hazard Classes and CategoriesFlam. Liq. 2 (12.8%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29225000
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H226
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Flam. Liq. 3
- Precautionary statements
- P210-P370+P378
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanamine, 1,1-diethoxy-N,N-dimethyl-: INACTIVE
Applications
UsesN,N-Dimethylformamide diethyl acetal was used in quantification of cocaine and its primary metabolite, benzoyl ecgonine from urine matrix by gas chromatography.
UsesN,N-Dimethylformamide diethyl acetal is a suitable reagent for the esterification of fatty acids. It is suitable reagent used in the quantification of cocaine and its primary metabolite, benzoyl ecgonine, from a urine matrix by gas chromatography.
General DescriptionN,N-Dimethylformamide diethyl acetal undergoes Me3SiCl-mediated three-component coupling reaction with alkyne to yield 2,3,4,5-tetrasubstituted pyridine derivatives.
Upstream & downstream products
Downstream products
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梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Related reactions
239 records
Compound notes
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