Basic information
- CAS
853319-22-9- Standard SMILES
Cc1ccc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl- InChIKey
ZDXKGQMSNOWJBI-UHFFFAOYSA-N- Molecular formula
- C25H26ClN3O
- Average molar mass
- 419.9 g/mol
- Monoisotopic mass
- 419.1764402
Names & identifiers
- Preferred name
- N-(3-Chloro-4-methylphenyl)-4-(diphenylmethyl)-1-piperazinecarboxamide
- IUPAC
- 4-benzhydryl-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
- English name
- N-(3-chloro-4-methylphenyl)-4-(diphenylmethyl)piperazine-1-carboxamide
- Molecular formula
- C25H26ClN3O
- Molecular weight
- 419.94644
Names & synonyms
DTXSID6011555854-BENZHYDRYL-N-(3-CHLORO-4-METHYLPHENYL)-1-PIPERAZINECARBOXAMIDE853319-22-9N-(3-Chloro-4-methylphenyl)-4-(diphenylmethyl)-1-piperazinecarboxamideRefChem:826387DTXCID201587095665-574-2AKOS024435431N-(3-Chloro-4-methylphenyl)-4-(diphenylmethyl)piperazine-1-carboxamide
Database identifiers
- CAS
853319-22-9- PubChem CID
- 45051171
- DTXSID
DTXSID601155585- EC Number
- 665-574-2
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 521
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H335-H319-H410
- Precautionary statements
- 273 · P273-P391-P501-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H315-H335-H319-H410
- Precautionary statements
- P273-P391-P501-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
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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