N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide
Basic information
- CAS
328548-67-0- Standard SMILES
COc1cccc(NC(=O)c2ccc(-n3cnnn3)cc2)c1- InChIKey
HAFIIBATECUNNW-UHFFFAOYSA-N- Molecular formula
- C15H13N5O2
- Average molar mass
- 295.3 g/mol
- Monoisotopic mass
- 295.10692467
Names & identifiers
- Preferred name
- N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide
- IUPAC
- N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide
- English name
- N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide
- Molecular formula
- C15H13N5O2
- Molecular weight
- 295.3
Names & synonyms
N-(3-methoxyphenyl)-4-(1H-tetrazol-1-yl)benzamideN-(3-methoxyphenyl)-4-(1H-tetraazol-1-yl)benzamideN-(3-Methoxy-phenyl)-4-tetrazol-1-yl-benzamideN-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamideOprea1_053938Oprea1_451458MLS001217785CHEMBL1707175HMS2904K07STK864831AKOS000668494SMR000612886
Show more names
Benzamide, N-(3-methoxyphenyl)-4-(1H-tetrazol-1-yl)-
ST50325482AG-690/12890498SR-01000417621SR-01000417621-1N-(3-methoxyphenyl)(4-(1,2,3,4-tetraazolyl)phenyl)carboxamide328548-67-0
Database identifiers
- CAS
328548-67-0- PubChem CID
- 764196
- ChEMBL
CHEMBL1707175- EC Number
- 134-463-6
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 373
Experimental & physicochemical properties
Solubility0.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 12.24 · 12.24±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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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