Basic information
- CAS
60903-52-8- Standard SMILES
CCCCNC(=O)Nc1ccc(C)c(NC(=O)NCCCC)c1- InChIKey
OCHXAFDXWVMHQC-UHFFFAOYSA-N- Molecular formula
- C17H28N4O2
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.22122615
Names & identifiers
- Preferred name
- 1,1'-(4-Methyl-1,3-phenylene)bis(3-butylurea)
- IUPAC
- 1-butyl-3-[3-(butylcarbamoylamino)-4-methylphenyl]urea
Names & synonyms
1,1'-(4-Methyl-1,3-phenylene)bis(3-butylurea)60903-52-8RefChem:409074666-997-5AKOS008667493
Database identifiers
- CAS
60903-52-8- PubChem CID
- 4569722
- EC Number
- 666-997-5
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 363
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, 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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