magnesium;azane;methanidylbenzene;chloride

C7H10ClMgN — CID 172690401

IUPACmagnesium;azane;methanidylbenzene;chloride
SMILESN.[CH2-]c1ccccc1.[Cl-].[Mg+2]
InChIInChI=1S/C7H7.ClH.Mg.H3N/c1-7-5-3-2-4-6-7;;;/h2-6H,1H2;1H;;1H3/q-1;;+2;/p-1
InChIKeyLPVSLVLTOGZPLD-UHFFFAOYSA-M
MW167.92 g/mol
LogP-1.35
Rot. Bonds

About magnesium;azane;methanidylbenzene;chloride

magnesium;azane;methanidylbenzene;chloride (PubChem CID 172690401) has the molecular formula C7H10ClMgN and a molecular weight of 167.92 g/mol. Its IUPAC name is magnesium;azane;methanidylbenzene;chloride.

Molecular Properties

Compound Namemagnesium;azane;methanidylbenzene;chloride
PubChem CID172690401
Molecular FormulaC7H10ClMgN
Molecular Weight167.92 g/mol
Exact Mass167.04
IUPAC Namemagnesium;azane;methanidylbenzene;chloride
SMILESN.[CH2-]c1ccccc1.[Cl-].[Mg+2]
InChIInChI=1S/C7H7.ClH.Mg.H3N/c1-7-5-3-2-4-6-7;;;/h2-6H,1H2;1H;;1H3/q-1;;+2;/p-1
InChIKeyLPVSLVLTOGZPLD-UHFFFAOYSA-M
XLogP-1.35
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.92
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;azane;methanidylbenzene;chloride?
The IUPAC name of magnesium;azane;methanidylbenzene;chloride (CID 172690401) is magnesium;azane;methanidylbenzene;chloride.
What is the SMILES notation for magnesium;azane;methanidylbenzene;chloride?
The canonical SMILES for magnesium;azane;methanidylbenzene;chloride is N.[CH2-]c1ccccc1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;azane;methanidylbenzene;chloride?
The InChIKey is LPVSLVLTOGZPLD-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7.ClH.Mg.H3N/c1-7-5-3-2-4-6-7;;;/h2-6H,1H2;1H;;1H3/q-1;;+2;/p-1.
What are the key properties of magnesium;azane;methanidylbenzene;chloride?
magnesium;azane;methanidylbenzene;chloride has a molecular weight of 167.92 g/mol, XLogP of -1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;azane;methanidylbenzene;chloride is sourced from PubChem (CID 172690401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).