(Dimethylamino)acetone
Basic information
- CAS
15364-56-4- Standard SMILES
CC(=O)CN(C)C- InChIKey
VFPKIWATTACVJR-UHFFFAOYSA-N- Molecular formula
- C5H11NO
- Average molar mass
- 101.15 g/mol
- Monoisotopic mass
- 101.08406397
Names & identifiers
- Preferred name
- (Dimethylamino)acetone
- IUPAC
- 1-(dimethylamino)propan-2-one
- English name
- (Dimethylamino)acetone
- Molecular formula
- C5H11NO
- Molecular weight
- 101.15
Names & synonyms
(Dimethylamino)acetone1-(Dimethylamino)-2-propanone1-(Dimethylamino)acetone(dimethylamino)-acetoneEINECS 239-402-8NSC 96617(CH3)2NCH2COCH3AI3-28460DTXSID60165386RefChem:69974DTXCID90878772-Propanone, 1-(dimethylamino)-(8CI)
Show more names
N,N-Dimethylaminoacetone1-DIMETHYLAMINO-2-PROPANE(DIMETHYLAMINO)ACETONE 98%
2-Propanone, 1-(dimethylamino)-(8CI)(9CI)239-402-8InChI=1/C5H11NO/c1-5(7)4-6(2)3/h4H2,1-3HVFPKIWATTACVJR-UHFFFAOYSA-N15364-56-41-(dimethylamino)propan-2-one1-Dimethylaminoacetone2-Propanone, 1-(dimethylamino)-
Database identifiers
- CAS
15364-56-4- PubChem CID
- 84883
- DTXSID
DTXSID60165386- EC Number
- 239-402-8
- Nikkaji
- J129.454G
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 68.5
Physicochemical properties
- Boiling point
- 119 · 119-120 °C (lit.)
- Density
- 0.883 g/mL · 0.883 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.414(lit.)
- Flash point
- 86 °F · 86 °F
- storage temp.
- 20 °C · −20°C
- pka
- 7.37 · 7.37±0.28(Predicted)
- Appearance
- Light yellow to yellow Liquid
- BRN
- 1740823 · 1740823
- Stability
- Volatile
- InChI
- 1S/C5H11NO/c1-5(7)4-6(2)3/h4H2,1-3H3
- InChIKey
- VFPKIWATTACVJR-UHFFFAOYSA-N
- SMILES
- CN(C)CC(C)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315
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, P264, P280, P302+P352, P303+P361+P353, P321, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 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
- F
- 8-10-16-23
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1224 3/PG 3
- risk_code
- 10-38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi,C
- safety_code
- 23
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H315
- Hazard Classifications
- Flam. Liq. 3Skin Irrit. 2
- Precautionary statements
- P210-P302+P352
Chemistry & industry
Applications
Uses1-(Dimethylamino)-2-propanone is an intermediate in the synthesis of Amylocaine Hydrochloride which, is used mostly in spinal anesthesia.
Suppliers
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Related reactions
3 records
Compound notes
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