Basic information
- CAS
36855-72-8- Standard SMILES
Nc1ccc(C(=O)Nc2nn[nH]n2)cc1- InChIKey
ZIGSKTZSJNCADJ-UHFFFAOYSA-N- Molecular formula
- C8H8N6O
- Average molar mass
- 204.19 g/mol
- Monoisotopic mass
- 204.0759589
Names & identifiers
- Preferred name
- Benzamide, 4-amino-N-(1H-tetrazol-5-yl)-
- IUPAC
- 4-amino-N-(2H-tetrazol-5-yl)benzamide
- English name
- 4-Amino-N-(1H-tetrazol-5-yl)benzamide
- Molecular formula
- C8H8N6O
- Molecular weight
- 204.19
Names & synonyms
4-Amino-N-(1H-tetrazol-5-yl)benzamide36855-72-8BRN 11182611H-Tetrazole, 5-(p-aminobenzamido)-BENZAMIDE, 4-AMINO-N-(1H-TETRAZOL-5-YL)-DTXSID00190339RefChem:321672DTXCID601128304-amino-N-(2H-tetrazol-5-yl)benzamideSCHEMBL10788892Benzamide, 4-amino-N-2H-tetrazol-5-yl-4-amino-N-(1(2)H-tetrazol-5-yl)-benzamide
Database identifiers
- CAS
36855-72-8- PubChem CID
- 37558
- DTXSID
DTXSID00190339- Nikkaji
- J54.749B
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Density
- 1.588 · 1.588±0.06 g/cm3(Predicted)
- pka
- 3.75 · 3.75±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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