Basic information
- CAS
452089-88-2- Standard SMILES
COc1ccc(/C(C)=N/NC(=O)CCn2nnc3ccccc32)cc1OC- InChIKey
YTHPRLAVPUWLFQ-DEDYPNTBSA-N- Molecular formula
- C19H21N5O3
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.16443955
Names & identifiers
- Preferred name
- 3(1H-1,2,3-Benzotriazol-1-YL)N'-(1-(3,4-dimethoxy-PH)ethylidene)propanohydrazide
- IUPAC
- 3-(benzotriazol-1-yl)-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]propanamide
- English name
- SALOR-INT L475408-1EA
- Molecular formula
- C19H21N5O3
- Molecular weight
- 367.4
Names & synonyms
452089-88-2RefChem:4847523(1H-1,2,3-Benzotriazol-1-YL)N'-(1-(3,4-dimethoxy-PH)ethylidene)propanohydrazide655-456-93-(1H-1,2,3-benzotriazol-1-yl)-N'-[(1Z)-1-(3,4-dimethoxyphenyl)ethylidene]propanehydrazide3-(1H-Benzo[d][1,2,3]triazol-1-yl)-N'-(1-(3,4-dimethoxyphenyl)ethylidene)propanehydrazideAKOS001329168Z574583353-(1H-1,2,3-benzotriazol-1-yl)-N'-[(E)-1-(3,4-dimethoxyphenyl)ethylidene]propanohydrazideSALOR-INT L475408-1EA1H-Benzotriazole-1-propanoic acid, 2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazide3-(1H-benzotriazol-1-yl)-N'-[(1Z)-1-(3,4-dimethoxyphenyl)ethylidene]propanehydrazide
Show more names
(Z)-3-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(1-(3,4-dimethoxyphenyl)ethylidene)propanehydrazide
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 529
Physicochemical properties
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 12.81 · 12.81±0.46(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 335 · H335-H315-H301-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501-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
- H335-H315-H301-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers5 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
IFLAB-BB[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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