1,3-Cyclohexanedione, 2-[(dimethylamino)methylene]-


Chemical Name: 1,3-Cyclohexanedione, 2-[(dimethylamino)methylene]-
CAS Number: 85302-07-4
Product Number: AG004PL8(AGN-PC-0JQEFO)
Synonyms:
MDL No:
Molecular Formula: C9H13NO2
Molecular Weight: 167.2050

Identification/Properties


Properties
MP:
116℃(Solv: chloroform (67-66-3); ligroine (8032-32-4))
BP:
274.5 °C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
167.208g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
167.095g/mol
Monoisotopic Mass:
167.095g/mol
Topological Polar Surface Area:
37.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
223
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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