zinc;2-(ethylamino)-5-methylbenzenediazonium;trichloride

C9H12Cl3N3Zn — CID 21116290

IUPACzinc;2-(ethylamino)-5-methylbenzenediazonium;trichloride
SMILESCCNc1ccc(C)cc1[N+]#N.[Cl-].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C9H12N3.3ClH.Zn/c1-3-11-8-5-4-7(2)6-9(8)12-10;;;;/h4-6,11H,3H2,1-2H3;3*1H;/q+1;;;;+2/p-3
InChIKeyRIASYEHFQRZFMC-UHFFFAOYSA-K
MW333.97 g/mol
LogP-6.08
Rot. Bonds2

About zinc;2-(ethylamino)-5-methylbenzenediazonium;trichloride

zinc;2-(ethylamino)-5-methylbenzenediazonium;trichloride (PubChem CID 21116290) has the molecular formula C9H12Cl3N3Zn and a molecular weight of 333.97 g/mol. Its IUPAC name is zinc;2-(ethylamino)-5-methylbenzenediazonium;trichloride.

Molecular Properties

Compound Namezinc;2-(ethylamino)-5-methylbenzenediazonium;trichloride
PubChem CID21116290
Molecular FormulaC9H12Cl3N3Zn
Molecular Weight333.97 g/mol
Exact Mass330.94
IUPAC Namezinc;2-(ethylamino)-5-methylbenzenediazonium;trichloride
SMILESCCNc1ccc(C)cc1[N+]#N.[Cl-].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C9H12N3.3ClH.Zn/c1-3-11-8-5-4-7(2)6-9(8)12-10;;;;/h4-6,11H,3H2,1-2H3;3*1H;/q+1;;;;+2/p-3
InChIKeyRIASYEHFQRZFMC-UHFFFAOYSA-K
XLogP-6.08
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.97
LogP ≤ 5-6.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

zinc;4-(ethylamino)-3-methylbenzenediazonium;tetrachloride
CID 170844651
2,5-dimethylbenzenediazonium chloride
CID 12583461
N,2-diethyl-4-methylaniline
CID 23348946
N,2-diethyl-5-methylaniline;ethane
CID 143835073
1-N-ethyl-2-N,2-N,4-trimethylbenzene-1,2-diamine
CID 59688677
2-(ethylamino)-5-methylbenzenecarbothioamide
CID 107928326
4-(ethylamino)-3-iodobenzenediazonium
CID 174693836
2-N-ethyl-4-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 143741349
N-ethyl-7-methylquinolin-4-amine
CID 89060504
2-amino-4-methylbenzenediazonium
CID 88801928
N-ethyl-2-(ethylamino)-N,5-dimethylbenzamide
CID 62511241
N-ethyl-5-methyl-2-propan-2-yloxyaniline
CID 82263376

Frequently Asked Questions

What is the IUPAC name of zinc;2-(ethylamino)-5-methylbenzenediazonium;trichloride?
The IUPAC name of zinc;2-(ethylamino)-5-methylbenzenediazonium;trichloride (CID 21116290) is zinc;2-(ethylamino)-5-methylbenzenediazonium;trichloride.
What is the SMILES notation for zinc;2-(ethylamino)-5-methylbenzenediazonium;trichloride?
The canonical SMILES for zinc;2-(ethylamino)-5-methylbenzenediazonium;trichloride is CCNc1ccc(C)cc1[N+]#N.[Cl-].[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;2-(ethylamino)-5-methylbenzenediazonium;trichloride?
The InChIKey is RIASYEHFQRZFMC-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H12N3.3ClH.Zn/c1-3-11-8-5-4-7(2)6-9(8)12-10;;;;/h4-6,11H,3H2,1-2H3;3*1H;/q+1;;;;+2/p-3.
What are the key properties of zinc;2-(ethylamino)-5-methylbenzenediazonium;trichloride?
zinc;2-(ethylamino)-5-methylbenzenediazonium;trichloride has a molecular weight of 333.97 g/mol, XLogP of -6.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-(ethylamino)-5-methylbenzenediazonium;trichloride is sourced from PubChem (CID 21116290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).