Basic information
- CAS
100076-54-8- Standard SMILES
Cc1ccc(NC(=O)NC(C)C)c(C)c1- InChIKey
MUWGCUBAHCXSMX-UHFFFAOYSA-N- Molecular formula
- C12H18N2O
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.1419132
Names & identifiers
- Preferred name
- 1-Isopropyl-3-(2,4-xylyl)urea
- IUPAC
- 1-(2,4-dimethylphenyl)-3-propan-2-ylurea
- English name
- 1-(2,4-dimethylphenyl)-3-(propan-2-yl)urea
- Molecular formula
- C12H18N2O
- Molecular weight
- 206.28
Names & synonyms
1-ISOPROPYL-3-(2,4-XYLYL)UREARefChem:433360100076-54-8666-826-4NSC164149SCHEMBL10363346AKOS024334806NSC-1641491-(2,4-dimethylphenyl)-3-(propan-2-yl)ureaUrea, N-(2,4-dimethylphenyl)-N'-(1-methylethyl)-
Database identifiers
- CAS
100076-54-8- PubChem CID
- 294994
- EC Number
- 666-826-4
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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