4-(2,6-dimethylmorpholin-4-yl)benzenediazonium;trichlorozinc(1-)

C12H16Cl3N3OZn — CID 118856656

IUPAC4-(2,6-dimethylmorpholin-4-yl)benzenediazonium;trichlorozinc(1-)
SMILESCC1CN(c2ccc([N+]#N)cc2)CC(C)O1.Cl[Zn-](Cl)Cl
InChIInChI=1S/C12H16N3O.3ClH.Zn/c1-9-7-15(8-10(2)16-9)12-5-3-11(14-13)4-6-12;;;;/h3-6,9-10H,7-8H2,1-2H3;3*1H;/q+1;;;;+2/p-3
InChIKeyRQOVIHNEOPKPDB-UHFFFAOYSA-K
MW390.03 g/mol
LogP4.85
Rot. Bonds1

About 4-(2,6-dimethylmorpholin-4-yl)benzenediazonium;trichlorozinc(1-)

4-(2,6-dimethylmorpholin-4-yl)benzenediazonium;trichlorozinc(1-) (PubChem CID 118856656) has the molecular formula C12H16Cl3N3OZn and a molecular weight of 390.03 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)benzenediazonium;trichlorozinc(1-).

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)benzenediazonium;trichlorozinc(1-)
PubChem CID118856656
Molecular FormulaC12H16Cl3N3OZn
Molecular Weight390.03 g/mol
Exact Mass386.97
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)benzenediazonium;trichlorozinc(1-)
SMILESCC1CN(c2ccc([N+]#N)cc2)CC(C)O1.Cl[Zn-](Cl)Cl
InChIInChI=1S/C12H16N3O.3ClH.Zn/c1-9-7-15(8-10(2)16-9)12-5-3-11(14-13)4-6-12;;;;/h3-6,9-10H,7-8H2,1-2H3;3*1H;/q+1;;;;+2/p-3
InChIKeyRQOVIHNEOPKPDB-UHFFFAOYSA-K
XLogP4.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.03
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-(2,6-dimethylmorpholin-4-yl)benzenediazonium;trichlorozinc(1-) with MolForge

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Related Compounds

(2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine
CID 166696094
2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine
CID 76587760
4-(4-ethynylphenyl)-2,6-dimethylmorpholine
CID 22494643
2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine
CID 171714626
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde
CID 28603596
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol
CID 93023320
[4-(2,6-dimethylmorpholin-4-yl)phenyl]methanol
CID 43121035
4-(4-azidophenyl)-2,6-dimethylmorpholine
CID 150027576
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol
CID 43505904
(1R)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]propan-1-amine
CID 114066341
(1S)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]propan-1-amine
CID 114066342
4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 43188175

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)benzenediazonium;trichlorozinc(1-)?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)benzenediazonium;trichlorozinc(1-) (CID 118856656) is 4-(2,6-dimethylmorpholin-4-yl)benzenediazonium;trichlorozinc(1-).
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)benzenediazonium;trichlorozinc(1-)?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)benzenediazonium;trichlorozinc(1-) is CC1CN(c2ccc([N+]#N)cc2)CC(C)O1.Cl[Zn-](Cl)Cl.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)benzenediazonium;trichlorozinc(1-)?
The InChIKey is RQOVIHNEOPKPDB-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H16N3O.3ClH.Zn/c1-9-7-15(8-10(2)16-9)12-5-3-11(14-13)4-6-12;;;;/h3-6,9-10H,7-8H2,1-2H3;3*1H;/q+1;;;;+2/p-3.
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)benzenediazonium;trichlorozinc(1-)?
4-(2,6-dimethylmorpholin-4-yl)benzenediazonium;trichlorozinc(1-) has a molecular weight of 390.03 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)benzenediazonium;trichlorozinc(1-) is sourced from PubChem (CID 118856656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).