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2-Cyclohexylidenehydrazinecarboxamide

CAT: 0572-TRC-C991435-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C991435-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1589-61-3
Hazard Statement
No Data Available
Smiles
NC(=O)NN=C1CCCCC1
Molecular Formula
C7 H13 N3 O
Molecular Weight
155.198
InChI
InChI=1S/C7H13N3O/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5H2,(H3,8,10,11)
Additionnal Information
IUPAC name: (cyclohexylideneamino)urea
Shipping Conditions
Room Temperature

Chemical Information

Cyclohexanone, semicarbazone
CAS Number1589-61-3
PubChem CID15320
IUPAC Name(cyclohexylideneamino)urea
Molecular FormulaC7H13N3O
Molecular Weight155.20
XLogP0.2
Topological Polar Surface Area67.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity169
SMILES
C1CCC(=NNC(=O)N)CC1
InChI
InChI=1S/C7H13N3O/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5H2,(H3,8,10,11)
InChIKey
KZDDDHJBINUIKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclohexanone, semicarbazone
CAS: 1589-61-3
CID: 15320
Formula: C7H13N3O
MW: 155.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight155.20
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass155.105862047
Monoisotopic Mass155.105862047
Topological Polar Surface Area67.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity169
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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