N-(4-ethoxyphenyl)-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide
Basic information
- CAS
332352-04-2- Standard SMILES
CCOc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1- InChIKey
HYHBTUQUIVVEHT-UHFFFAOYSA-N- Molecular formula
- C16H15N5O2
- Average molar mass
- 309.32 g/mol
- Monoisotopic mass
- 309.12257474
Names & identifiers
- Preferred name
- N-(4-ethoxyphenyl)-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide
- IUPAC
- N-(4-ethoxyphenyl)-4-(tetrazol-1-yl)benzamide
- English name
- N-(4-ethoxyphenyl)-4-(1H-tetrazol-1-yl)benzamide
- Molecular formula
- C16H15N5O2
- Molecular weight
- 309.32
Names & synonyms
N-(4-ethoxyphenyl)-4-(1H-tetrazol-1-yl)benzamide332352-04-2N-(4-ethoxyphenyl)-4-(1H-1,2,3,4-tetrazol-1-yl)benzamideTetrazole-based ligand, 3N-(4-ethoxyphenyl)-4-(tetrazol-1-yl)benzamideOprea1_595614Oprea1_825750CHEMBL271326BDBM21152STK950199AKOS000520501ST50328826
Show more names
Benzamide, N-(4-ethoxyphenyl)-4-(1H-tetrazol-1-yl)-
N-(4-ethoxyphenyl)-4-(1H-tetraazol-1-yl)benzamideF0914-3180N-(4-ethoxyphenyl)(4-(1,2,3,4-tetraazolyl)phenyl)carboxamide
Database identifiers
- CAS
332352-04-2- PubChem CID
- 747770
- ChEMBL
CHEMBL271326- EC Number
- 134-292-7
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 12.15 · 12.15±0.70(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Related reactions
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Compound notes
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