N-Benzyl-N'-tert-butylurea
Basic information
- CAS
15942-15-1- Standard SMILES
CC(C)(C)NC(=O)NCc1ccccc1- InChIKey
UCRJESGWJZLKCX-UHFFFAOYSA-N- Molecular formula
- C12H18N2O
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.1419132
Names & identifiers
- Preferred name
- N-Benzyl-N'-tert-butylurea
- IUPAC
- 1-benzyl-3-tert-butylurea
- English name
- 1-(Benzyl)-3-(tert-butyl)urea
- Molecular formula
- C12H18N2O
- Molecular weight
- 206.28
Names & synonyms
15942-15-1N-Benzyl-N'-tert-butylureaDTXSID70308464RefChem:363367DTXCID002595911-benzyl-3-tert-butylureaNSC204258SCHEMBL8790625AKOS016501999NSC-2042581-(BENZYL)-3-(TERT-BUTYL)UREAAB00016191-01
Show more names
Urea, N-(1,1-dimethylethyl)-N'-(phenylmethyl)-
Database identifiers
- CAS
15942-15-1- PubChem CID
- 306574
- DTXSID
DTXSID70308464- EC Number
- 688-756-3
- Nikkaji
- J1.492.513I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 108 °C · 108 °C(Solv: benzene (71-43-2))
- Boiling point
- 381.3 · 381.3±21.0 °C(Predicted)
- Density
- 1.015 · 1.015±0.06 g/cm3(Predicted)
- pka
- 13.72 · 13.72±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H302-H335-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H302-H335-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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