3,3'-(4-Methyl-1,3-phenylene)bis(1,1-dipropylurea)
Basic information
- CAS
26841-33-8- Standard SMILES
CCCN(CCC)C(=O)Nc1ccc(C)c(NC(=O)N(CCC)CCC)c1- InChIKey
OCWHZNDECVZSSB-UHFFFAOYSA-N- Molecular formula
- C21H36N4O2
- Average molar mass
- 376.5 g/mol
- Monoisotopic mass
- 376.2838264
Names & identifiers
- Preferred name
- 3,3'-(4-Methyl-1,3-phenylene)bis(1,1-dipropylurea)
- IUPAC
- 3-[3-(dipropylcarbamoylamino)-4-methylphenyl]-1,1-dipropylurea
Names & synonyms
26841-33-83,3'-(4-METHYL-1,3-PHENYLENE)BIS(1,1-DIPROPYLUREA)RefChem:484906667-011-61,1'-(4-Methyl-1,3-phenylene)bis(3,3-dipropylurea)SCHEMBL20718874AKOS008717260
Database identifiers
- CAS
26841-33-8- PubChem CID
- 4487709
- EC Number
- 667-011-6
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 432
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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