1-(dimethylamino)naphthalene-2-diazonium

C12H12N3+ — CID 88633495

IUPAC1-(dimethylamino)naphthalene-2-diazonium
SMILESCN(C)c1c([N+]#N)ccc2ccccc12
InChIInChI=1S/C12H12N3/c1-15(2)12-10-6-4-3-5-9(10)7-8-11(12)14-13/h3-8H,1-2H3/q+1
InChIKeyIAVVRBAUBOBFKL-UHFFFAOYSA-N
MW198.25 g/mol
LogP3.39
Rot. Bonds1

About 1-(dimethylamino)naphthalene-2-diazonium

1-(dimethylamino)naphthalene-2-diazonium (PubChem CID 88633495) has the molecular formula C12H12N3+ and a molecular weight of 198.25 g/mol. Its IUPAC name is 1-(dimethylamino)naphthalene-2-diazonium.

Molecular Properties

Compound Name1-(dimethylamino)naphthalene-2-diazonium
PubChem CID88633495
Molecular FormulaC12H12N3+
Molecular Weight198.25 g/mol
Exact Mass198.10
IUPAC Name1-(dimethylamino)naphthalene-2-diazonium
SMILESCN(C)c1c([N+]#N)ccc2ccccc12
InChIInChI=1S/C12H12N3/c1-15(2)12-10-6-4-3-5-9(10)7-8-11(12)14-13/h3-8H,1-2H3/q+1
InChIKeyIAVVRBAUBOBFKL-UHFFFAOYSA-N
XLogP3.39
TPSA31.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)naphthalene-2-diazonium?
The IUPAC name of 1-(dimethylamino)naphthalene-2-diazonium (CID 88633495) is 1-(dimethylamino)naphthalene-2-diazonium.
What is the SMILES notation for 1-(dimethylamino)naphthalene-2-diazonium?
The canonical SMILES for 1-(dimethylamino)naphthalene-2-diazonium is CN(C)c1c([N+]#N)ccc2ccccc12.
What is the InChIKey of 1-(dimethylamino)naphthalene-2-diazonium?
The InChIKey is IAVVRBAUBOBFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N3/c1-15(2)12-10-6-4-3-5-9(10)7-8-11(12)14-13/h3-8H,1-2H3/q+1.
What are the key properties of 1-(dimethylamino)naphthalene-2-diazonium?
1-(dimethylamino)naphthalene-2-diazonium has a molecular weight of 198.25 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)naphthalene-2-diazonium is sourced from PubChem (CID 88633495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).