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N-Cyclohexylphosphoric Triamide

CAT: 0024-sc-219094Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-219094Size:250 mg
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CAS Number
25316-51-2

Chemical Information

Cyclohexylphosphoric triamide
CAS Number25316-51-2
PubChem CID179450
IUPAC NameN-diaminophosphorylcyclohexanamine
Molecular FormulaC6H16N3OP
Molecular Weight177.18
XLogP-0.5
Topological Polar Surface Area81.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity161
SMILES
C1CCC(CC1)NP(=O)(N)N
InChI
InChI=1S/C6H16N3OP/c7-11(8,10)9-6-4-2-1-3-5-6/h6H,1-5H2,(H5,7,8,9,10)
InChIKey
KMZNLGQARIPHIB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclohexylphosphoric triamide
CAS: 25316-51-2
CID: 179450
Formula: C6H16N3OP
MW: 177.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight177.18
XLogP3-0.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass177.10309914
Monoisotopic Mass177.10309914
Topological Polar Surface Area81.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity161
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