Basic information
- Standard SMILES
CCC(=O)N(C)OC- InChIKey
YKVJZSZZQKQJMO-UHFFFAOYSA-N- Molecular formula
- C5H11NO2
- Average molar mass
- 117.15 g/mol
- Monoisotopic mass
- 117.07897859
Names & identifiers
- Preferred name
- N-Methoxy-N-methylpropionamide
- IUPAC
- N-methoxy-N-methylpropanamide
- English name
- N-METHOXY-N-METHYL-PROPIONAMIDE
- Molecular formula
- C5H11NO2
- Molecular weight
- 117.15
Names & synonyms
Show more names
Database identifiers
- CAS
104863-65-2- PubChem CID
- 11344007
- DTXSID
DTXSID60462887- EC Number
- 833-755-7
- Nikkaji
- J2.348.513C
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 82
Physicochemical properties
- Boiling point
- 119 · 119.0±23.0 °C(Predicted)
- Density
- 0.961 · 0.961±0.06 g/cm3(Predicted)
- refractive index
- 1.427 to · 1.4270 to 1.4310
- Flash point
- 26 ° · 26°
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- clear liquid
- color
- Colorless to Almost colorless
- InChI
- InChI=1S/C5H11NO2/c1-4-5(7)6(2)8-3/h4H2,1-3H3
- InChIKey
- YKVJZSZZQKQJMO-UHFFFAOYSA-N
- SMILES
- C(N(OC)C)(=O)CC
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 210 · P210-P240
- RIDADR
- 1993 · UN 1993 3/PG III
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 2924190090 · 2924190090
- 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 (33.3%): Highly Flammable liquid and vapor [Danger Flammable liquids];H226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids];H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Safety data
- ridadr
- UN 1993 3/PG III
- hs_code
- 2924190090
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_class
- 3
- packing_group
- III
- 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)
- Precautionary statements
- P210-P240
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
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