Basic information
- CAS
179539-57-2- Standard SMILES
O=C(NC1CCCCC1)NC1CCN(Cc2ccccc2)CC1- InChIKey
NYVAUBXJQMOULV-UHFFFAOYSA-N- Molecular formula
- C19H29N3O
- Average molar mass
- 315.5 g/mol
- Monoisotopic mass
- 315.23106256
Names & identifiers
- Preferred name
- N-(1-Benzyl-4-piperidinyl)-N'-cyclohexylurea
- IUPAC
- 1-(1-benzylpiperidin-4-yl)-3-cyclohexylurea
Names & synonyms
N-(1-benzyl-4-piperidinyl)-N'-cyclohexylurea179539-57-2RefChem:823543652-751-41-(1-benzylpiperidin-4-yl)-3-cyclohexylureaSTK413818AKOS003310375ST50564531N-(1-benzylpiperidin-4-yl)-N'-cyclohexylurea(cyclohexylamino)-N-[1-benzyl(4-piperidyl)]carboxamide
Database identifiers
- CAS
179539-57-2- PubChem CID
- 769352
- EC Number
- 652-751-4
Properties
Computed structural properties
- XLogP
- 3.3
- 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
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)
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. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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