chromium(3+);tris(trans-(1S,2S)-cyclohexane-1,2-diamine);trichloride;dihydrate

C18H46Cl3CrN6O2 — CID 139198738

IUPACchromium(3+);tris(trans-(1S,2S)-cyclohexane-1,2-diamine);trichloride;dihydrate
SMILESN[C@H]1CCCC[C@@H]1N.N[C@H]1CCCC[C@@H]1N.N[C@H]1CCCC[C@@H]1N.O.O.[Cl-].[Cl-].[Cl-].[Cr+3]
InChIInChI=1S/3C6H14N2.3ClH.Cr.2H2O/c3*7-5-3-1-2-4-6(5)8;;;;;;/h3*5-6H,1-4,7-8H2;3*1H;;2*1H2/q;;;;;;+3;;/p-3/t3*5-,6-;;;;;;/m000....../s1
InChIKeyQMZIMIDSPUIBLH-LJDCIRLDSA-K
MW536.96 g/mol
LogP-9.99
Rot. Bonds

About chromium(3+);tris(trans-(1S,2S)-cyclohexane-1,2-diamine);trichloride;dihydrate

chromium(3+);tris(trans-(1S,2S)-cyclohexane-1,2-diamine);trichloride;dihydrate (PubChem CID 139198738) has the molecular formula C18H46Cl3CrN6O2 and a molecular weight of 536.96 g/mol. Its IUPAC name is chromium(3+);tris(trans-(1S,2S)-cyclohexane-1,2-diamine);trichloride;dihydrate.

Molecular Properties

Compound Namechromium(3+);tris(trans-(1S,2S)-cyclohexane-1,2-diamine);trichloride;dihydrate
PubChem CID139198738
Molecular FormulaC18H46Cl3CrN6O2
Molecular Weight536.96 g/mol
Exact Mass535.22
IUPAC Namechromium(3+);tris(trans-(1S,2S)-cyclohexane-1,2-diamine);trichloride;dihydrate
SMILESN[C@H]1CCCC[C@@H]1N.N[C@H]1CCCC[C@@H]1N.N[C@H]1CCCC[C@@H]1N.O.O.[Cl-].[Cl-].[Cl-].[Cr+3]
InChIInChI=1S/3C6H14N2.3ClH.Cr.2H2O/c3*7-5-3-1-2-4-6(5)8;;;;;;/h3*5-6H,1-4,7-8H2;3*1H;;2*1H2/q;;;;;;+3;;/p-3/t3*5-,6-;;;;;;/m000....../s1
InChIKeyQMZIMIDSPUIBLH-LJDCIRLDSA-K
XLogP-9.99
TPSA219.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.96
LogP ≤ 5-9.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

tetrakis(cis-(1S,2R)-cyclohexane-1,2-diamine);bis(gold(3+));hexachloride;hexahydrate
CID 139176759
trans-(1S,2S)-cycloundecane-1,2-diamine
CID 139815756
ethene;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine;chloride
CID 46224444
dioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 59971329
platinum;trans-(1R,2R)-cyclopentane-1,2-diamine
CID 87290141
cis-(1R,2S)-cyclopentane-1,2-diamine;dihydrochloride
CID 66730598
cyclohexane-1,2-diamine;propane-1,3-diamine
CID 162135343
cyclohexane-1,2-diamine;phosphoric acid
CID 70269724
cyclohexane-1,2-diamine;oxalic acid;platinum(2+)
CID 6394767
acetic acid;cyclohexane-1,2-diamine
CID 67321744
oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine
CID 163285607
acetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine
CID 159991522

Frequently Asked Questions

What is the IUPAC name of chromium(3+);tris(trans-(1S,2S)-cyclohexane-1,2-diamine);trichloride;dihydrate?
The IUPAC name of chromium(3+);tris(trans-(1S,2S)-cyclohexane-1,2-diamine);trichloride;dihydrate (CID 139198738) is chromium(3+);tris(trans-(1S,2S)-cyclohexane-1,2-diamine);trichloride;dihydrate.
What is the SMILES notation for chromium(3+);tris(trans-(1S,2S)-cyclohexane-1,2-diamine);trichloride;dihydrate?
The canonical SMILES for chromium(3+);tris(trans-(1S,2S)-cyclohexane-1,2-diamine);trichloride;dihydrate is N[C@H]1CCCC[C@@H]1N.N[C@H]1CCCC[C@@H]1N.N[C@H]1CCCC[C@@H]1N.O.O.[Cl-].[Cl-].[Cl-].[Cr+3].
What is the InChIKey of chromium(3+);tris(trans-(1S,2S)-cyclohexane-1,2-diamine);trichloride;dihydrate?
The InChIKey is QMZIMIDSPUIBLH-LJDCIRLDSA-K. The full InChI is InChI=1S/3C6H14N2.3ClH.Cr.2H2O/c3*7-5-3-1-2-4-6(5)8;;;;;;/h3*5-6H,1-4,7-8H2;3*1H;;2*1H2/q;;;;;;+3;;/p-3/t3*5-,6-;;;;;;/m000....../s1.
What are the key properties of chromium(3+);tris(trans-(1S,2S)-cyclohexane-1,2-diamine);trichloride;dihydrate?
chromium(3+);tris(trans-(1S,2S)-cyclohexane-1,2-diamine);trichloride;dihydrate has a molecular weight of 536.96 g/mol, XLogP of -9.99, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);tris(trans-(1S,2S)-cyclohexane-1,2-diamine);trichloride;dihydrate is sourced from PubChem (CID 139198738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).