4-(dimethylamino)-3-methoxybenzenediazonium tetrafluoroborate

C9H12BF4N3O — CID 157402997

IUPAC4-(dimethylamino)-3-methoxybenzenediazonium tetrafluoroborate
SMILESCOc1cc([N+]#N)ccc1N(C)C.F[B-](F)(F)F
InChIInChI=1S/C9H12N3O.BF4/c1-12(2)8-5-4-7(11-10)6-9(8)13-3;2-1(3,4)5/h4-6H,1-3H3;/q+1;-1
InChIKeyBNJSSENWVJFRGU-UHFFFAOYSA-N
MW265.02 g/mol
LogP3.55
Rot. Bonds2

About 4-(dimethylamino)-3-methoxybenzenediazonium tetrafluoroborate

4-(dimethylamino)-3-methoxybenzenediazonium tetrafluoroborate (PubChem CID 157402997) has the molecular formula C9H12BF4N3O and a molecular weight of 265.02 g/mol. Its IUPAC name is 4-(dimethylamino)-3-methoxybenzenediazonium tetrafluoroborate.

Molecular Properties

Compound Name4-(dimethylamino)-3-methoxybenzenediazonium tetrafluoroborate
PubChem CID157402997
Molecular FormulaC9H12BF4N3O
Molecular Weight265.02 g/mol
Exact Mass265.10
IUPAC Name4-(dimethylamino)-3-methoxybenzenediazonium tetrafluoroborate
SMILESCOc1cc([N+]#N)ccc1N(C)C.F[B-](F)(F)F
InChIInChI=1S/C9H12N3O.BF4/c1-12(2)8-5-4-7(11-10)6-9(8)13-3;2-1(3,4)5/h4-6H,1-3H3;/q+1;-1
InChIKeyBNJSSENWVJFRGU-UHFFFAOYSA-N
XLogP3.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.02
LogP ≤ 53.55
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'}

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Related Compounds

3,4-dimethoxybenzenediazonium chloride
CID 15840191
benzene-1,4-didiazonium tetrafluoroborate
CID 87828141
4-(dimethylamino)-2,5-dimethoxybenzenediazonium;zinc;chloride;hydrochloride
CID 173365483
4-methoxycarbonylbenzenediazonium tetrafluoroborate
CID 11776859
ethene;2-methoxy-N,N-dimethyl-4-methylsulfanylaniline
CID 144805204
2-(dimethylamino)benzenediazonium tetrafluoroborate
CID 88706755
2-methoxy-N,N,4,5-tetramethylaniline
CID 117043608
2-methoxy-N,N-dimethyl-4-(methylaminomethyl)aniline
CID 84754595
3-methoxybenzenediazonium
CID 11636885
4-(dimethylamino)-2,3-dimethoxybenzenediazonium
CID 88702943
3-chloro-4-methylbenzenediazonium tetrafluoroborate
CID 82973633
N-[[4-(dimethylamino)-3-methoxyphenyl]methyl]-N-methylcarbamoyl iodide
CID 146274343

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-methoxybenzenediazonium tetrafluoroborate?
The IUPAC name of 4-(dimethylamino)-3-methoxybenzenediazonium tetrafluoroborate (CID 157402997) is 4-(dimethylamino)-3-methoxybenzenediazonium tetrafluoroborate.
What is the SMILES notation for 4-(dimethylamino)-3-methoxybenzenediazonium tetrafluoroborate?
The canonical SMILES for 4-(dimethylamino)-3-methoxybenzenediazonium tetrafluoroborate is COc1cc([N+]#N)ccc1N(C)C.F[B-](F)(F)F.
What is the InChIKey of 4-(dimethylamino)-3-methoxybenzenediazonium tetrafluoroborate?
The InChIKey is BNJSSENWVJFRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N3O.BF4/c1-12(2)8-5-4-7(11-10)6-9(8)13-3;2-1(3,4)5/h4-6H,1-3H3;/q+1;-1.
What are the key properties of 4-(dimethylamino)-3-methoxybenzenediazonium tetrafluoroborate?
4-(dimethylamino)-3-methoxybenzenediazonium tetrafluoroborate has a molecular weight of 265.02 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-methoxybenzenediazonium tetrafluoroborate is sourced from PubChem (CID 157402997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).