cyclohexane-1,2-diamine;phosphoric acid

C6H17N2O4P — CID 70269724

IUPACcyclohexane-1,2-diamine;phosphoric acid
SMILESNC1CCCCC1N.O=P(O)(O)O
InChIInChI=1S/C6H14N2.H3O4P/c7-5-3-1-2-4-6(5)8;1-5(2,3)4/h5-6H,1-4,7-8H2;(H3,1,2,3,4)
InChIKeyACXPBBUQOGOJEJ-UHFFFAOYSA-N
MW212.19 g/mol
LogP-0.71
Rot. Bonds

About cyclohexane-1,2-diamine;phosphoric acid

cyclohexane-1,2-diamine;phosphoric acid (PubChem CID 70269724) has the molecular formula C6H17N2O4P and a molecular weight of 212.19 g/mol. Its IUPAC name is cyclohexane-1,2-diamine;phosphoric acid.

Molecular Properties

Compound Namecyclohexane-1,2-diamine;phosphoric acid
PubChem CID70269724
Molecular FormulaC6H17N2O4P
Molecular Weight212.19 g/mol
Exact Mass212.09
IUPAC Namecyclohexane-1,2-diamine;phosphoric acid
SMILESNC1CCCCC1N.O=P(O)(O)O
InChIInChI=1S/C6H14N2.H3O4P/c7-5-3-1-2-4-6(5)8;1-5(2,3)4/h5-6H,1-4,7-8H2;(H3,1,2,3,4)
InChIKeyACXPBBUQOGOJEJ-UHFFFAOYSA-N
XLogP-0.71
TPSA129.80 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 5-0.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

cyclohexane-1,2-diamine;hydron;platinum(2+);phosphate
CID 3049901
hydroxy-[[hydroxy(oxido)phosphoryl]methyl]phosphinate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 11225437
dioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 59971329
oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine
CID 163285607
cyclohexane-1,2-diamine;oxalic acid;platinum(2+)
CID 6394767
trans-(1S,2S)-cycloundecane-1,2-diamine
CID 139815756
ethene;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine;chloride
CID 46224444
acetic acid;cyclohexane-1,2-diamine
CID 67321744
acetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine
CID 159991522
bis(cyclohexane-1,2-diamine);oxalate;platinum(4+)
CID 173119560
chromium(3+);tris(trans-(1S,2S)-cyclohexane-1,2-diamine);trichloride;dihydrate
CID 139198738
tetrakis(cis-(1S,2R)-cyclohexane-1,2-diamine);bis(gold(3+));hexachloride;hexahydrate
CID 139176759

Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,2-diamine;phosphoric acid?
The IUPAC name of cyclohexane-1,2-diamine;phosphoric acid (CID 70269724) is cyclohexane-1,2-diamine;phosphoric acid.
What is the SMILES notation for cyclohexane-1,2-diamine;phosphoric acid?
The canonical SMILES for cyclohexane-1,2-diamine;phosphoric acid is NC1CCCCC1N.O=P(O)(O)O.
What is the InChIKey of cyclohexane-1,2-diamine;phosphoric acid?
The InChIKey is ACXPBBUQOGOJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.H3O4P/c7-5-3-1-2-4-6(5)8;1-5(2,3)4/h5-6H,1-4,7-8H2;(H3,1,2,3,4).
What are the key properties of cyclohexane-1,2-diamine;phosphoric acid?
cyclohexane-1,2-diamine;phosphoric acid has a molecular weight of 212.19 g/mol, XLogP of -0.71, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,2-diamine;phosphoric acid is sourced from PubChem (CID 70269724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).