1-Tert-butyl-3-(alpha-methylbenzyl)urea
Basic information
- CAS
121913-98-2- Standard SMILES
CC(NC(=O)NC(C)(C)C)c1ccccc1- InChIKey
GINDCBFYEUWKKJ-UHFFFAOYSA-N- Molecular formula
- C13H20N2O
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.15756327
Names & identifiers
- Preferred name
- 1-Tert-butyl-3-(alpha-methylbenzyl)urea
- IUPAC
- 1-tert-butyl-3-(1-phenylethyl)urea
- English name
- 1-tert-Butyl-3-(alpha-methylbenzyl)urea
- Molecular formula
- C13H20N2O
- Molecular weight
- 220.31
Names & synonyms
121913-98-21-TERT-BUTYL-3-(ALPHA-METHYLBENZYL)UREARefChem:436732668-670-23-tert-butyl-1-(1-phenylethyl)ureaN-(tert-butyl)-N'-(1-phenylethyl)urea1-tert-butyl-3-(1-phenylethyl)ureaNSC204260SCHEMBL14037778HMS1661N16AKOS024337263CCG-236590
Show more names
Urea, N-(1,1-dimethylethyl)-N'-(1-phenylethyl)-
NSC-204260BRD-A11905255-001-01-4
Database identifiers
- CAS
121913-98-2- PubChem CID
- 306576
- EC Number
- 668-670-2
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 381.1 · 381.1±21.0 °C(Predicted)
- Density
- 0.999 · 0.999±0.06 g/cm3(Predicted)
- pka
- 13.77 · 13.77±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H335-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H335-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Suppliers
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Related reactions
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Compound notes
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