chloroalumane;trimethyl(phenyl)azanium;chloride

C9H16AlCl2N — CID 173074857

IUPACchloroalumane;trimethyl(phenyl)azanium;chloride
SMILESC[N+](C)(C)c1ccccc1.[AlH2]Cl.[Cl-]
InChIInChI=1S/C9H14N.Al.2ClH.2H/c1-10(2,3)9-7-5-4-6-8-9;;;;;/h4-8H,1-3H3;;2*1H;;/q2*+1;;;;/p-2
InChIKeyVUNDPYUQZXOPJR-UHFFFAOYSA-L
MW236.12 g/mol
LogP-1.34
Rot. Bonds1

About chloroalumane;trimethyl(phenyl)azanium;chloride

chloroalumane;trimethyl(phenyl)azanium;chloride (PubChem CID 173074857) has the molecular formula C9H16AlCl2N and a molecular weight of 236.12 g/mol. Its IUPAC name is chloroalumane;trimethyl(phenyl)azanium;chloride.

Molecular Properties

Compound Namechloroalumane;trimethyl(phenyl)azanium;chloride
PubChem CID173074857
Molecular FormulaC9H16AlCl2N
Molecular Weight236.12 g/mol
Exact Mass235.05
IUPAC Namechloroalumane;trimethyl(phenyl)azanium;chloride
SMILESC[N+](C)(C)c1ccccc1.[AlH2]Cl.[Cl-]
InChIInChI=1S/C9H14N.Al.2ClH.2H/c1-10(2,3)9-7-5-4-6-8-9;;;;;/h4-8H,1-3H3;;2*1H;;/q2*+1;;;;/p-2
InChIKeyVUNDPYUQZXOPJR-UHFFFAOYSA-L
XLogP-1.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.12
LogP ≤ 5-1.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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tetraphenylboranuide;trimethyl(phenyl)azanium
CID 12504234
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CID 134811481
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CID 159524097
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CID 66900184
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CID 158872413

Frequently Asked Questions

What is the IUPAC name of chloroalumane;trimethyl(phenyl)azanium;chloride?
The IUPAC name of chloroalumane;trimethyl(phenyl)azanium;chloride (CID 173074857) is chloroalumane;trimethyl(phenyl)azanium;chloride.
What is the SMILES notation for chloroalumane;trimethyl(phenyl)azanium;chloride?
The canonical SMILES for chloroalumane;trimethyl(phenyl)azanium;chloride is C[N+](C)(C)c1ccccc1.[AlH2]Cl.[Cl-].
What is the InChIKey of chloroalumane;trimethyl(phenyl)azanium;chloride?
The InChIKey is VUNDPYUQZXOPJR-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H14N.Al.2ClH.2H/c1-10(2,3)9-7-5-4-6-8-9;;;;;/h4-8H,1-3H3;;2*1H;;/q2*+1;;;;/p-2.
What are the key properties of chloroalumane;trimethyl(phenyl)azanium;chloride?
chloroalumane;trimethyl(phenyl)azanium;chloride has a molecular weight of 236.12 g/mol, XLogP of -1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloroalumane;trimethyl(phenyl)azanium;chloride is sourced from PubChem (CID 173074857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).