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Piperazine phosphate

CAT: 0024-sc-476267Size: 1 gDry Ice: NoHazardous: No
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CAS Number
14538-56-8

Chemical Information

Piperazine, phosphate (1:?)

See also: Piperazinium dihydrogen phosphate (annotation moved to).

CAS Number14538-56-8
PubChem CID64733
IUPAC Namephosphoric acid;piperazine
Molecular FormulaC4H13N2O4P
Molecular Weight184.13
Topological Polar Surface Area102
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity76
SMILES
C1CNCCN1.OP(=O)(O)O
InChI
InChI=1S/C4H10N2.H3O4P/c1-2-6-4-3-5-1;1-5(2,3)4/h5-6H,1-4H2;(H3,1,2,3,4)
InChIKey
NQQWFVUVBGSGQN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Piperazine, phosphate (1:?)
CAS: 14538-56-8
CID: 64733
Formula: C4H13N2O4P
MW: 184.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight184.13
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass184.06129390
Monoisotopic Mass184.06129390
Topological Polar Surface Area102 Ų
Heavy Atom Count11
Formal Charge0
Complexity76.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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