4-(2,6-Diethylphenyl)-1-phenylsemicarbazide
Basic information
- CAS
133611-91-3- Standard SMILES
CCc1cccc(CC)c1NC(=O)NNc1ccccc1- InChIKey
PZERCKKAAFVZQO-UHFFFAOYSA-N- Molecular formula
- C17H21N3O
- Average molar mass
- 283.37 g/mol
- Monoisotopic mass
- 283.1684623
Names & identifiers
- Preferred name
- 4-(2,6-Diethylphenyl)-1-phenylsemicarbazide
- IUPAC
- 1-anilino-3-(2,6-diethylphenyl)urea
- English name
- 1-(2,6-diethylphenyl)-1-(phenylamino)urea
- Molecular formula
- C17H21N3O
- Molecular weight
- 283.37
Names & synonyms
4-(2,6-DIETHYLPHENYL)-1-PHENYLSEMICARBAZIDERefChem:510802133611-91-3666-400-8AKOS0243367531-(2,6-diethylphenyl)-1-(phenylamino)urea
Database identifiers
- CAS
133611-91-3- PubChem CID
- 3298748
- EC Number
- 666-400-8
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 184 · 184-186 °C(Solvent: Ethanol)
- Density
- 1.16 · 1.160±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.976 · 10.976±0.43(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · 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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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