Basic information
- CAS
100615-32-5- Standard SMILES
C=CCN(CC=C)C(=O)Nc1ccccc1- InChIKey
WTNHSTMLXCXNDF-UHFFFAOYSA-N- Molecular formula
- C13H16N2O
- Average molar mass
- 216.28 g/mol
- Monoisotopic mass
- 216.12626314
Names & identifiers
- Preferred name
- 1,1-Diallyl-3-phenylurea
- IUPAC
- 3-phenyl-1,1-bis(prop-2-enyl)urea
Names & synonyms
1,1-Diallyl-3-phenylurea100615-32-5RefChem:409745653-436-4N,N-diallyl-N'-phenylurea3-phenyl-1,1-bis(prop-2-enyl)urea1,1-DIALLYL-3-PHENYL UREACambridge id 5271547CBDivE_013742SCHEMBL2450680HMS1579F20AKOS001016292
Show more names
(phenylamino)-N,N-diprop-2-enylcarboxamideST50548562AB00078536-01SR-01000202746SR-01000202746-1Z55292499
Database identifiers
- CAS
100615-32-5- PubChem CID
- 765482
- EC Number
- 653-436-4
- Nikkaji
- J1.289.022B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, 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 CategoriesSkin Sens. 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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