N,N,N-trimethyl-1,1-bis(1-methylethoxy)amine
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Basic information
- CAS
18503-89-4- Standard SMILES
CC(C)OC(OC(C)C)N(C)C- InChIKey
XOZZATXWQMOVHL-UHFFFAOYSA-N- Molecular formula
- C9H21NO2
- Average molar mass
- 175.27 g/mol
- Monoisotopic mass
- 175.15722891
Names & identifiers
- Preferred name
- N,N,N-trimethyl-1,1-bis(1-methylethoxy)amine
- IUPAC
- N,N-dimethyl-1,1-di(propan-2-yloxy)methanamine
- English name
- N,N-Dimethylformamide diisopropyl acetal
- Molecular formula
- C9H21NO2
- Molecular weight
- 175.27
Names & synonyms
18503-89-4N,N-Dimethyl-1,1-bis(1-methylethoxy)methanamineN,N,N-Trimethyl-1,1-bis(1-methylethoxy)amineEINECS 242-386-5DTXSID20171701RefChem:822078DTXCID6094192242-386-5N,N-Dimethylformamide diisopropyl acetal1,1-diisopropoxy-n,n-dimethylmethanamineN,N-dimethyl-1,1-di(propan-2-yloxy)methanamineMFCD00008879
Show more names
SKL1154diisopropoxymethyl(dimethyl)aminediisopropoxy-N,N-dimethylmethanamine1,1‐Bis‐(1‐methylethoxy)‐trimethylamineN,N-DIMETHYLFORMAMIDE DI-N-PROPYL ACETAL
Methanamine, N,N-dimethyl-1,1-bis(1-methylethoxy)-[bis(propan-2-yloxy)methyl]dimethylaminedimethylformamide diisopropylacetal1,1-Diisopropoxytrimethylamine1,1-Diisopropoxy-N,N-dimethylmethylamineDimethyl(diisopropoxymethyl)amineDMF diisopropyl acetalN,N-DIMETHYLFORMAMIDE DIMETHYLACETATE
Database identifiers
- CAS
18503-89-4- PubChem CID
- 87682
- DTXSID
DTXSID20171701- UNII
- NZF48578HE
- EC Number
- 242-386-5
- Nikkaji
- J149.893B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Boiling point
- 79 · 79-80 °C60 mm Hg(lit.)
- Density
- 0.838 g/mL · 0.838 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.409(lit.)
- Flash point
- 74 °F · 74 °F
- storage temp.
- -20 °C, · -20°C, protect from light
- form
- liquid
- pka
- 5.47 · 5.47±0.50(Predicted)
- Appearance
- Colorless to light yellow Liquid
- BRN
- 1901978 · 1901978
- InChI
- InChI=1S/C9H21NO2/c1-7(2)11-9(10(5)6)12-8(3)4/h7-9H,1-6H3
- InChIKey
- XOZZATXWQMOVHL-UHFFFAOYSA-N
- SMILES
- C(OC(C)C)(OC(C)C)N(C)C
- CAS DataBase Reference
- 18503 · 18503-89-4(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 2922190090
- risk_code
- 36/37/38-10
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H226-H315-H319-H335
Chemistry & industry
Applications
UsesN,N-Dimethylformamide diisopropyl acetal was used in the quantification of cocaine and its metabolite, benzoyl ecgonine from urine matrix.
Upstream & downstream products
Upstream raw materials
Related reactions
27 records
Compound notes
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