benzene;trimethylazanium;chloride

C9H16ClN — CID 19853705

IUPACbenzene;trimethylazanium;chloride
SMILESC[NH+](C)C.[Cl-].c1ccccc1
InChIInChI=1S/C6H6.C3H9N.ClH/c1-2-4-6-5-3-1;1-4(2)3;/h1-6H;1-3H3;1H
InChIKeyODMNXTDRYVKLLW-UHFFFAOYSA-N
MW173.69 g/mol
LogP-2.55
Rot. Bonds

About benzene;trimethylazanium;chloride

benzene;trimethylazanium;chloride (PubChem CID 19853705) has the molecular formula C9H16ClN and a molecular weight of 173.69 g/mol. Its IUPAC name is benzene;trimethylazanium;chloride.

Molecular Properties

Compound Namebenzene;trimethylazanium;chloride
PubChem CID19853705
Molecular FormulaC9H16ClN
Molecular Weight173.69 g/mol
Exact Mass173.10
IUPAC Namebenzene;trimethylazanium;chloride
SMILESC[NH+](C)C.[Cl-].c1ccccc1
InChIInChI=1S/C6H6.C3H9N.ClH/c1-2-4-6-5-3-1;1-4(2)3;/h1-6H;1-3H3;1H
InChIKeyODMNXTDRYVKLLW-UHFFFAOYSA-N
XLogP-2.55
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.69
LogP ≤ 5-2.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene;trimethylazanium;chloride?
The IUPAC name of benzene;trimethylazanium;chloride (CID 19853705) is benzene;trimethylazanium;chloride.
What is the SMILES notation for benzene;trimethylazanium;chloride?
The canonical SMILES for benzene;trimethylazanium;chloride is C[NH+](C)C.[Cl-].c1ccccc1.
What is the InChIKey of benzene;trimethylazanium;chloride?
The InChIKey is ODMNXTDRYVKLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H9N.ClH/c1-2-4-6-5-3-1;1-4(2)3;/h1-6H;1-3H3;1H.
What are the key properties of benzene;trimethylazanium;chloride?
benzene;trimethylazanium;chloride has a molecular weight of 173.69 g/mol, XLogP of -2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;trimethylazanium;chloride is sourced from PubChem (CID 19853705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).