Basic information
- CAS
315198-58-4- Standard SMILES
COc1ccccc1/C=N\NC(=O)CN1CCN(Cc2ccccc2Cl)CC1- InChIKey
JOYTZSANRMPYQD-UCQKPKSFSA-N- Molecular formula
- C21H25ClN4O2
- Average molar mass
- 400.9 g/mol
- Monoisotopic mass
- 400.1666037
Names & identifiers
- Preferred name
- 2-[4-(2-chlorobenzyl)piperazin-1-yl]-N'-[(E)-(2-methoxyphenyl)methylidene]acetohydrazide
- IUPAC
- 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
- English name
- 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
- Molecular formula
- C21H25ClN4O2
- Molecular weight
- 400.9
Names & synonyms
2-[4-(2-chlorobenzyl)piperazin-1-yl]-N'-[(E)-(2-methoxyphenyl)methylidene]acetohydrazide315198-58-4AKOS001617393ST50064313N-[(1Z)-2-(2-methoxyphenyl)-1-azavinyl]-2-{4-[(2-chlorophenyl)methyl]piperazin yl}acetamide2-(4-(2-CHLOROBENZYL)-1-PIPERAZINYL)-N'-(2-METHOXYBENZYLIDENE)ACETOHYDRAZIDE2-(4-(2-CHLOROBENZYL)-1-PIPERAZINYL)-N'-(2-METHOXYBENZYLIDENE)ACETOHYDRAZIDE1-Piperazineacetic acid, 4-[(2-chlorophenyl)methyl]-, 2-[(2-methoxyphenyl)methylene]hydrazide2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
Database identifiers
- CAS
315198-58-4- PubChem CID
- 5514902
- EC Number
- 132-440-5
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 511
Physicochemical properties
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 13.14 · 13.14±0.46(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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, 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 CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers3 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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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