dichlorozirconium;2-(methylamino)ethanol

C3H9Cl2NOZr — CID 174434300

IUPACdichlorozirconium;2-(methylamino)ethanol
SMILESCNCCO.Cl[Zr]Cl
InChIInChI=1S/C3H9NO.2ClH.Zr/c1-4-2-3-5;;;/h4-5H,2-3H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyLXOXJMDMKQHPHQ-UHFFFAOYSA-L
MW237.24 g/mol
LogP0.57
Rot. Bonds2

About dichlorozirconium;2-(methylamino)ethanol

dichlorozirconium;2-(methylamino)ethanol (PubChem CID 174434300) has the molecular formula C3H9Cl2NOZr and a molecular weight of 237.24 g/mol. Its IUPAC name is dichlorozirconium;2-(methylamino)ethanol.

Molecular Properties

Compound Namedichlorozirconium;2-(methylamino)ethanol
PubChem CID174434300
Molecular FormulaC3H9Cl2NOZr
Molecular Weight237.24 g/mol
Exact Mass234.91
IUPAC Namedichlorozirconium;2-(methylamino)ethanol
SMILESCNCCO.Cl[Zr]Cl
InChIInChI=1S/C3H9NO.2ClH.Zr/c1-4-2-3-5;;;/h4-5H,2-3H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyLXOXJMDMKQHPHQ-UHFFFAOYSA-L
XLogP0.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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dioxotitanium;2-(methylamino)ethanol
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bis(dihydroxy(oxo)phosphanium);2-(methylamino)ethanol
CID 88596466
azane;2-(methylamino)ethanol;sulfuric acid
CID 175379230
2-aminopropan-1-ol;2-(methylamino)ethanol
CID 159701933
bis(2-(methylamino)ethanol);nickel(2+);diacetate
CID 158242939
2-(2-aminoethylamino)ethanol;2-(methylamino)ethanol
CID 88701366

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;2-(methylamino)ethanol?
The IUPAC name of dichlorozirconium;2-(methylamino)ethanol (CID 174434300) is dichlorozirconium;2-(methylamino)ethanol.
What is the SMILES notation for dichlorozirconium;2-(methylamino)ethanol?
The canonical SMILES for dichlorozirconium;2-(methylamino)ethanol is CNCCO.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;2-(methylamino)ethanol?
The InChIKey is LXOXJMDMKQHPHQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H9NO.2ClH.Zr/c1-4-2-3-5;;;/h4-5H,2-3H2,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorozirconium;2-(methylamino)ethanol?
dichlorozirconium;2-(methylamino)ethanol has a molecular weight of 237.24 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;2-(methylamino)ethanol is sourced from PubChem (CID 174434300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).