dichlorocopper;ethane-1,2-diamine;dihydrate

C2H12Cl2CuN2O2 — CID 174923481

IUPACdichlorocopper;ethane-1,2-diamine;dihydrate
SMILESCl[Cu]Cl.NCCN.O.O
InChIInChI=1S/C2H8N2.2ClH.Cu.2H2O/c3-1-2-4;;;;;/h1-4H2;2*1H;;2*1H2/q;;;+2;;/p-2
InChIKeyHVEMBRNQZZUNQJ-UHFFFAOYSA-L
MW230.58 g/mol
LogP-1.37
Rot. Bonds1

About dichlorocopper;ethane-1,2-diamine;dihydrate

dichlorocopper;ethane-1,2-diamine;dihydrate (PubChem CID 174923481) has the molecular formula C2H12Cl2CuN2O2 and a molecular weight of 230.58 g/mol. Its IUPAC name is dichlorocopper;ethane-1,2-diamine;dihydrate.

Molecular Properties

Compound Namedichlorocopper;ethane-1,2-diamine;dihydrate
PubChem CID174923481
Molecular FormulaC2H12Cl2CuN2O2
Molecular Weight230.58 g/mol
Exact Mass228.96
IUPAC Namedichlorocopper;ethane-1,2-diamine;dihydrate
SMILESCl[Cu]Cl.NCCN.O.O
InChIInChI=1S/C2H8N2.2ClH.Cu.2H2O/c3-1-2-4;;;;;/h1-4H2;2*1H;;2*1H2/q;;;+2;;/p-2
InChIKeyHVEMBRNQZZUNQJ-UHFFFAOYSA-L
XLogP-1.37
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.58
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dichlorocopper;ethane-1,2-diamine;dihydrate?
The IUPAC name of dichlorocopper;ethane-1,2-diamine;dihydrate (CID 174923481) is dichlorocopper;ethane-1,2-diamine;dihydrate.
What is the SMILES notation for dichlorocopper;ethane-1,2-diamine;dihydrate?
The canonical SMILES for dichlorocopper;ethane-1,2-diamine;dihydrate is Cl[Cu]Cl.NCCN.O.O.
What is the InChIKey of dichlorocopper;ethane-1,2-diamine;dihydrate?
The InChIKey is HVEMBRNQZZUNQJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H8N2.2ClH.Cu.2H2O/c3-1-2-4;;;;;/h1-4H2;2*1H;;2*1H2/q;;;+2;;/p-2.
What are the key properties of dichlorocopper;ethane-1,2-diamine;dihydrate?
dichlorocopper;ethane-1,2-diamine;dihydrate has a molecular weight of 230.58 g/mol, XLogP of -1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorocopper;ethane-1,2-diamine;dihydrate is sourced from PubChem (CID 174923481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).