2-amino-4-methylbenzenediazonium

C7H8N3+ — CID 88801928

IUPAC2-amino-4-methylbenzenediazonium
SMILESCc1ccc([N+]#N)c(N)c1
InChIInChI=1S/C7H8N3/c1-5-2-3-7(10-9)6(8)4-5/h2-4H,8H2,1H3/q+1
InChIKeyZSHKFBZIKIIRCG-UHFFFAOYSA-N
MW134.16 g/mol
LogP2.06
Rot. Bonds

About 2-amino-4-methylbenzenediazonium

2-amino-4-methylbenzenediazonium (PubChem CID 88801928) has the molecular formula C7H8N3+ and a molecular weight of 134.16 g/mol. Its IUPAC name is 2-amino-4-methylbenzenediazonium.

Molecular Properties

Compound Name2-amino-4-methylbenzenediazonium
PubChem CID88801928
Molecular FormulaC7H8N3+
Molecular Weight134.16 g/mol
Exact Mass134.07
IUPAC Name2-amino-4-methylbenzenediazonium
SMILESCc1ccc([N+]#N)c(N)c1
InChIInChI=1S/C7H8N3/c1-5-2-3-7(10-9)6(8)4-5/h2-4H,8H2,1H3/q+1
InChIKeyZSHKFBZIKIIRCG-UHFFFAOYSA-N
XLogP2.06
TPSA54.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylbenzenediazonium?
The IUPAC name of 2-amino-4-methylbenzenediazonium (CID 88801928) is 2-amino-4-methylbenzenediazonium.
What is the SMILES notation for 2-amino-4-methylbenzenediazonium?
The canonical SMILES for 2-amino-4-methylbenzenediazonium is Cc1ccc([N+]#N)c(N)c1.
What is the InChIKey of 2-amino-4-methylbenzenediazonium?
The InChIKey is ZSHKFBZIKIIRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N3/c1-5-2-3-7(10-9)6(8)4-5/h2-4H,8H2,1H3/q+1.
What are the key properties of 2-amino-4-methylbenzenediazonium?
2-amino-4-methylbenzenediazonium has a molecular weight of 134.16 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylbenzenediazonium is sourced from PubChem (CID 88801928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).