About magnesium;methanidylbenzene;hydrochloride
magnesium;methanidylbenzene;hydrochloride (PubChem CID 175590637) has the molecular formula C14H15ClMg
and a molecular weight of 243.03 g/mol. Its IUPAC name is magnesium;methanidylbenzene;hydrochloride.
Molecular Properties
| Compound Name | magnesium;methanidylbenzene;hydrochloride |
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| PubChem CID | 175590637 |
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| Molecular Formula | C14H15ClMg |
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| Molecular Weight | 243.03 g/mol |
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| Exact Mass | 242.07 |
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| IUPAC Name | magnesium;methanidylbenzene;hydrochloride |
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| SMILES | Cl.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Mg+2] |
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| InChI | InChI=1S/2C7H7.ClH.Mg/c2*1-7-5-3-2-4-6-7;;/h2*2-6H,1H2;1H;/q2*-1;;+2 |
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| InChIKey | YDWDANJBMQWRCD-UHFFFAOYSA-N |
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| XLogP | 3.78 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 16 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 243.03 |
| LogP ≤ 5 | 3.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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;methanidylbenzene;hydrochloride?
The IUPAC name of magnesium;methanidylbenzene;hydrochloride (CID 175590637) is magnesium;methanidylbenzene;hydrochloride.
What is the SMILES notation for magnesium;methanidylbenzene;hydrochloride?
The canonical SMILES for magnesium;methanidylbenzene;hydrochloride is Cl.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Mg+2].
What is the InChIKey of magnesium;methanidylbenzene;hydrochloride?
The InChIKey is YDWDANJBMQWRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7.ClH.Mg/c2*1-7-5-3-2-4-6-7;;/h2*2-6H,1H2;1H;/q2*-1;;+2.
What are the key properties of magnesium;methanidylbenzene;hydrochloride?
magnesium;methanidylbenzene;hydrochloride has a molecular weight of 243.03 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;methanidylbenzene;hydrochloride is sourced from PubChem (CID 175590637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).