Basic information
- CAS
19617-46-0- Standard SMILES
O=C(NCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1- InChIKey
WNNCXTWFLYJYEB-UHFFFAOYSA-N- Molecular formula
- C22H22N2O
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.17321333
Names & identifiers
- Preferred name
- 1,1,3-Tribenzylurea
- IUPAC
- 1,1,3-tribenzylurea
Names & synonyms
1,1,3-tribenzylureaRefChem:409643664-900-0N,N,N'-tribenzylureaUrea, tris(phenylmethyl)-19617-46-0SCHEMBL29221790DTXSID00402964AKOS024336057
Database identifiers
- CAS
19617-46-0- PubChem CID
- 4410046
- DTXSID
DTXSID00402964- EC Number
- 664-900-0
- Nikkaji
- J1.683.015A
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 359
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, P270, P273, P301+P317, P330, P391, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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