Basic information
- CAS
52313-55-0- Standard SMILES
O=C(NNC1CCN(Cc2ccccc2)CC1)c1ccccc1- InChIKey
QEUTZPRLLBCXNK-UHFFFAOYSA-N- Molecular formula
- C19H23N3O
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.18411237
Names & identifiers
- Preferred name
- Benzo(2'-(1-benzyl-4-piperidyl))hydrazide
- IUPAC
- N'-(1-benzylpiperidin-4-yl)benzohydrazide
- English name
- benzo[2'-[1-benzyl-4-piperidyl]]hydrazide
- Molecular formula
- C19H23N3O
- Molecular weight
- 309.41
Names & synonyms
52313-55-0Benzo(2'-(1-benzyl-4-piperidyl))hydrazideBVW2YA174OEINECS 257-838-7NSC 76551NSC-76551UNII-BVW2YA174ODTXSID70200338BENZO[2'-[1-BENZYL-4-PIPERIDYL]]HYDRAZIDEBenzoic acid, 2-(1-(phenylmethyl)-4-piperidinyl)hydrazideBenzoic acid, 2-[1-(phenylmethyl)-4-piperidinyl]hydrazideRefChem:118148
Show more names
N'-[1-(Phenylmethyl)-4-piperidinyl]benzohydrazide
DTXCID70122829257-838-7n'-(1-benzylpiperidin-4-yl)benzohydrazideNSC76551MLS002693989HMS3085K16SCHEMBL8553564CHEMBL1868255
Database identifiers
- CAS
52313-55-0- PubChem CID
- 73103
- DTXSID
DTXSID70200338- ChEMBL
CHEMBL1868255- UNII
- BVW2YA174O
- EC Number
- 257-838-7
- Nikkaji
- J295.635G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Boiling point
- 426 · 426.0±45.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 12.39 · 12.39±0.20(Predicted)
- FDA UNII
- 2 YA174O · BVW2YA174O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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