1-Isopropyl-3-(P-tolyl)urea
Basic information
- CAS
110363-52-5- Standard SMILES
Cc1ccc(NC(=O)NC(C)C)cc1- InChIKey
VUZFWAUPYVYJRZ-UHFFFAOYSA-N- Molecular formula
- C11H16N2O
- Average molar mass
- 192.26 g/mol
- Monoisotopic mass
- 192.12626314
Names & identifiers
- Preferred name
- 1-Isopropyl-3-(P-tolyl)urea
- IUPAC
- 1-(4-methylphenyl)-3-propan-2-ylurea
- English name
- 1-Isopropyl-3-(p-tolyl)urea
- Molecular formula
- C11H16N2O
- Molecular weight
- 192.26
Names & synonyms
1-Isopropyl-3-(p-tolyl)urea110363-52-5RefChem:433368667-346-8Torasemide Impurity 10SCHEMBL5851828AKOS001303155Z44580902InChI=1/C11H16N2O/c1-8(2)12-11(14)13-10-6-4-9(3)5-7-10/h4-8H,1-3H3,(H2,12,13,14
Database identifiers
- CAS
110363-52-5- PubChem CID
- 3370782
- EC Number
- 667-346-8
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 127 °C · 127 °C
- Boiling point
- 279.7 · 279.7±23.0 °C(Predicted)
- Density
- 1.062 · 1.062±0.06 g/cm3(Predicted)
- pka
- 13.94 · 13.94±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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