4,4'-Methylenebis(1-methyl-3-phenylurea)
Basic information
- CAS
63761-07-9- Standard SMILES
CNC(=O)Nc1ccc(Cc2ccc(NC(=O)NC)cc2)cc1- InChIKey
URHYYNIWSKTHNX-UHFFFAOYSA-N- Molecular formula
- C17H20N4O2
- Average molar mass
- 312.37 g/mol
- Monoisotopic mass
- 312.15862589
Names & identifiers
- Preferred name
- 4,4'-Methylenebis(1-methyl-3-phenylurea)
- IUPAC
- 1-methyl-3-[4-[[4-(methylcarbamoylamino)phenyl]methyl]phenyl]urea
- English name
- 4,4'-Methylenebis(1-methyl-3-phenylurea)
- Molecular formula
- C17H20N4O2
- Molecular weight
- 312.37
Names & synonyms
4,4'-METHYLENEBIS(1-METHYL-3-PHENYLUREA)RefChem:506789667-465-563761-07-91-methyl-3-[4-[[4-(methylcarbamoylamino)phenyl]methyl]phenyl]ureaST50550371CHEMBL95806SCHEMBL821704DTXSID60411638AKOS024335424N,N'-[Methylenedi(4,1-phenylene)]bis(N'-methylurea)(methylamino)-N-[4-({4-[(methylamino)carbonylamino]phenyl}methyl)phenyl]carbox amide
Show more names
Urea, N,N''-(methylenedi-4,1-phenylene)bis[N'-methyl- (9CI)
Database identifiers
- CAS
63761-07-9- PubChem CID
- 5228738
- DTXSID
DTXSID60411638- ChEMBL
CHEMBL95806- EC Number
- 667-465-5
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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 Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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