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3- (DIMETHYLAMINO) ACROLEIN

CAT: 1266-JH442547Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH442547Size:1 Each
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CAS Number
692-32-0
UN Code
UN 3267
Hazard Statement
Xi
HS Code
2912190090
Stability
Stable. Non-combustible. Incompatible with alkali metals, strong bases.
Molecular Formula
C5H9NO
Molecular Weight
99.13
Product Name Synonym
3-DIMETHYLAMINO-1-FURAN-2-YL-PROPENONE
Physical Properties
WHITE TO YELLOW POWDER, CRYSTALS, CRYSTALLINE POWDER OR SOLID AND/OR CHUNKS
Hazardous Class
3
Safety Statements
S26; S36/37/39; S45
Density
0.99 g/mL at 25oC (lit.)
Flash Point
>230 °F
RIDADR
UN 3267
Melting Point
158-160oC

Chemical Information

3-(Dimethylamino)acrylaldehyde

See also: 3-(Dimethylamino)-2-propenal (annotation moved to).

CAS Number692-32-0
PubChem CID638320
IUPAC Name(E)-3-(dimethylamino)prop-2-enal
Molecular FormulaC5H9NO
Molecular Weight99.13
XLogP0.1
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity76
SMILES
CN(C)/C=C/C=O
InChI
InChI=1S/C5H9NO/c1-6(2)4-3-5-7/h3-5H,1-2H3/b4-3+
InChIKey
RRLMPLDPCKRASL-ONEGZZNKSA-N
Chemical Structure
2D Structure
2D structure of 3-(Dimethylamino)acrylaldehyde
CAS: 692-32-0
CID: 638320
Formula: C5H9NO
MW: 99.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight99.13
XLogP30.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass99.068413911
Monoisotopic Mass99.068413911
Topological Polar Surface Area20.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity76.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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