2-phenylethanediazonium

C8H9N2+ — CID 19378865

IUPAC2-phenylethanediazonium
SMILESN#[N+]CCc1ccccc1
InChIInChI=1S/C8H9N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2/q+1
InChIKeyBULUCQHYOLHOJY-UHFFFAOYSA-N
MW133.17 g/mol
LogP2.08
Rot. Bonds2

About 2-phenylethanediazonium

2-phenylethanediazonium (PubChem CID 19378865) has the molecular formula C8H9N2+ and a molecular weight of 133.17 g/mol. Its IUPAC name is 2-phenylethanediazonium.

Molecular Properties

Compound Name2-phenylethanediazonium
PubChem CID19378865
Molecular FormulaC8H9N2+
Molecular Weight133.17 g/mol
Exact Mass133.08
IUPAC Name2-phenylethanediazonium
SMILESN#[N+]CCc1ccccc1
InChIInChI=1S/C8H9N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2/q+1
InChIKeyBULUCQHYOLHOJY-UHFFFAOYSA-N
XLogP2.08
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-phenylethanediazonium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene;2-phenylethylbenzene
CID 18982764
hafnium;2-phenylethylbenzene
CID 173109801
N-(2-phenylethyl)acetonitrilium
CID 102063980
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
4-phenylbutylbenzene
CID 141301927
2-phenylethylalumane;hydrofluoride
CID 174901524
ethane;methane;2-phenylethylbenzene
CID 158652330
1,4-bis(3-phenylpropyl)benzene
CID 59467322
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
CID 159131095
CID 159131095
3-phenyl-2-tritiopropanenitrile
CID 58498504

Frequently Asked Questions

What is the IUPAC name of 2-phenylethanediazonium?
The IUPAC name of 2-phenylethanediazonium (CID 19378865) is 2-phenylethanediazonium.
What is the SMILES notation for 2-phenylethanediazonium?
The canonical SMILES for 2-phenylethanediazonium is N#[N+]CCc1ccccc1.
What is the InChIKey of 2-phenylethanediazonium?
The InChIKey is BULUCQHYOLHOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2/q+1.
What are the key properties of 2-phenylethanediazonium?
2-phenylethanediazonium has a molecular weight of 133.17 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethanediazonium is sourced from PubChem (CID 19378865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).