3-(1H-1,2,3-Benzotriazol-1-YL)N'-(1-(3-hydroxyphenyl)ethylidene)propanohydrazide
Basic information
- CAS
452089-90-6- Standard SMILES
C/C(=N\NC(=O)CCn1nnc2ccccc21)c1cccc(O)c1- InChIKey
DJKMYZKTKJCCSS-LDADJPATSA-N- Molecular formula
- C17H17N5O2
- Average molar mass
- 323.35 g/mol
- Monoisotopic mass
- 323.1382248
Names & identifiers
- Preferred name
- 3-(1H-1,2,3-Benzotriazol-1-YL)N'-(1-(3-hydroxyphenyl)ethylidene)propanohydrazide
- IUPAC
- 3-(benzotriazol-1-yl)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanamide
- English name
- SALOR-INT L477338-1EA
- Molecular formula
- C17H17N5O2
- Molecular weight
- 323.35
Names & synonyms
3-(1H-1,2,3-BENZOTRIAZOL-1-YL)N'-(1-(3-HYDROXYPHENYL)ETHYLIDENE)PROPANOHYDRAZIDE452089-90-6RefChem:489712655-288-63-(1H-Benzo[d][1,2,3]triazol-1-yl)-N'-(1-(3-hydroxyphenyl)ethylidene)propanehydrazideSALOR-INT L477338-1EA1H-Benzotriazole-1-propanoic acid, 2-[1-(3-hydroxyphenyl)ethylidene]hydrazide
Database identifiers
- CAS
452089-90-6- PubChem CID
- 9615775
- EC Number
- 655-288-6
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 470
Physicochemical properties
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 9.23 · 9.23±0.10(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H301-H335
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H315-H319-H301-H335
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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