Basic information
- CAS
41220-40-0- Standard SMILES
O=C(Nc1ccccc1)NC1CCN(Cc2ccccc2)CC1- InChIKey
FBRUCPZAISLOOV-UHFFFAOYSA-N- Molecular formula
- C19H23N3O
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.18411237
Names & identifiers
- Preferred name
- 3-(1-Benzylpiperidin-4-yl)-1-phenylurea
- IUPAC
- 1-(1-benzylpiperidin-4-yl)-3-phenylurea
- English name
- Urea, N-phenyl-N'-[1-(phenylmethyl)-4-piperidinyl]-
- Molecular formula
- C19H23N3O
- Molecular weight
- 309.41
Names & synonyms
3-(1-benzylpiperidin-4-yl)-1-phenylurea41220-40-0RefChem:489440973-823-4N-(1-benzylpiperidin-4-yl)-N'-phenylurea1-(1-benzylpiperidin-4-yl)-3-phenylureaCHEMBL91621N-(1-Benzyl-4-piperidyl)-N'-phenylurea1-(1-Benzyl-piperidin-4-yl)-3-phenyl-urea1-(1-benzyl-4-piperidyl)-3-phenyl-ureaMLS000679511SCHEMBL9078087
Show more names
Urea, N-phenyl-N'-[1-(phenylmethyl)-4-piperidinyl]-
FBRUCPZAISLOOV-UHFFFAOYSA-NHMS2621M08HMS5219A18RBA22040BDBM50079170EBC-06683STK413807AKOS001324920
Database identifiers
- CAS
41220-40-0- PubChem CID
- 4064342
- ChEMBL
CHEMBL91621- EC Number
- 973-823-4
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Melting point
- 170 °C · 170 °C(Solv: ethanol (64-17-5); ethyl acetate (141-78-6))
- Boiling point
- 438.5 · 438.5±45.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 12.08 · 12.08±0.20(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, P280, P301+P317, 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)
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
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
1 records
Compound notes
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