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Hexazinone

CAT: 0926-FH178904-05Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-FH178904-05Size:25 g
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CAS Number
51235-04-2
MDL Number
MFCD00055526
Smiles
CN1C (=NC (=O) N (C1=O) C2CCCCC2) N (C) C
Molecular Formula
C12H20N4O2
Molecular Weight
252.31 g/mol
Controlled
No

Chemical Information

Hexazinone

Hexazinone is a member of 1,3,5-triazines.

CAS Number51235-04-2
PubChem CID39965
IUPAC Name3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione
Molecular FormulaC12H20N4O2
Molecular Weight252.31
XLogP1.3
Topological Polar Surface Area56.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity386
SMILES
CN1C(=NC(=O)N(C1=O)C2CCCCC2)N(C)C
InChI
InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKey
CAWXEEYDBZRFPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hexazinone
CAS: 51235-04-2
CID: 39965
Formula: C12H20N4O2
MW: 252.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.31
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass252.15862589
Monoisotopic Mass252.15862589
Topological Polar Surface Area56.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity386
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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