4-(diethylamino)benzenediazonium ditetrafluoroborate

C10H14B2F8N3- — CID 88803254

IUPAC4-(diethylamino)benzenediazonium ditetrafluoroborate
SMILESCCN(CC)c1ccc([N+]#N)cc1.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C10H14N3.2BF4/c1-3-13(4-2)10-7-5-9(12-11)6-8-10;2*2-1(3,4)5/h5-8H,3-4H2,1-2H3;;/q+1;2*-1
InChIKeyIKQJTJBHHUSZBU-UHFFFAOYSA-N
MW349.85 g/mol
LogP5.62
Rot. Bonds3

About 4-(diethylamino)benzenediazonium ditetrafluoroborate

4-(diethylamino)benzenediazonium ditetrafluoroborate (PubChem CID 88803254) has the molecular formula C10H14B2F8N3- and a molecular weight of 349.85 g/mol. Its IUPAC name is 4-(diethylamino)benzenediazonium ditetrafluoroborate.

Molecular Properties

Compound Name4-(diethylamino)benzenediazonium ditetrafluoroborate
PubChem CID88803254
Molecular FormulaC10H14B2F8N3-
Molecular Weight349.85 g/mol
Exact Mass350.13
IUPAC Name4-(diethylamino)benzenediazonium ditetrafluoroborate
SMILESCCN(CC)c1ccc([N+]#N)cc1.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C10H14N3.2BF4/c1-3-13(4-2)10-7-5-9(12-11)6-8-10;2*2-1(3,4)5/h5-8H,3-4H2,1-2H3;;/q+1;2*-1
InChIKeyIKQJTJBHHUSZBU-UHFFFAOYSA-N
XLogP5.62
TPSA31.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.85
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

4-(diethylamino)benzenediazonium;methane
CID 66524102
zinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;trichloride
CID 91997517
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
N,N-diethyl-4-fluoroaniline
CID 592416
4-N,4-N-diethylbenzene-1,4-diamine chloride
CID 18327270
4-[tris(4-diazoniophenyl)methyl]benzenediazonium tetratetrafluoroborate
CID 135076116
4-(diethylamino)benzenethiol
CID 2758241
N,N-diethylaniline;hydrazine
CID 161037544
4-[(1R)-1-amino-2-fluoroethyl]-N,N-diethylaniline
CID 171227521
4-(difluoromethyl)-N,N-diethylaniline
CID 154791327
3-[4-(diethylamino)anilino]propanenitrile
CID 39261332

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)benzenediazonium ditetrafluoroborate?
The IUPAC name of 4-(diethylamino)benzenediazonium ditetrafluoroborate (CID 88803254) is 4-(diethylamino)benzenediazonium ditetrafluoroborate.
What is the SMILES notation for 4-(diethylamino)benzenediazonium ditetrafluoroborate?
The canonical SMILES for 4-(diethylamino)benzenediazonium ditetrafluoroborate is CCN(CC)c1ccc([N+]#N)cc1.F[B-](F)(F)F.F[B-](F)(F)F.
What is the InChIKey of 4-(diethylamino)benzenediazonium ditetrafluoroborate?
The InChIKey is IKQJTJBHHUSZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N3.2BF4/c1-3-13(4-2)10-7-5-9(12-11)6-8-10;2*2-1(3,4)5/h5-8H,3-4H2,1-2H3;;/q+1;2*-1.
What are the key properties of 4-(diethylamino)benzenediazonium ditetrafluoroborate?
4-(diethylamino)benzenediazonium ditetrafluoroborate has a molecular weight of 349.85 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)benzenediazonium ditetrafluoroborate is sourced from PubChem (CID 88803254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).