1-(3-Methyl-pyridin-2-YL)-3-phenyl-urea
Basic information
- CAS
35466-42-3- Standard SMILES
Cc1cccnc1NC(=O)Nc1ccccc1- InChIKey
IKDYBHFQQDWWKB-UHFFFAOYSA-N- Molecular formula
- C13H13N3O
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.10586205
Names & identifiers
- Preferred name
- 1-(3-Methyl-pyridin-2-YL)-3-phenyl-urea
- IUPAC
- 1-(3-methyl-2-pyridinyl)-3-phenylurea
- English name
- 3-(3-methylpyridin-2-yl)-1-phenylurea
- Molecular formula
- C13H13N3O
- Molecular weight
- 227.26182
Names & synonyms
1-(3-Methyl-pyridin-2-yl)-3-phenyl-ureaRefChem:424024651-349-635466-42-3Urea, N-(3-methyl-2-pyridinyl)-N'-phenyl-ST505434491-(3-methylpyridin-2-yl)-3-phenylureaOprea1_242488Oprea1_611801MLS000712594CHEMBL1542264SCHEMBL28695063
Show more names
3-(3-methylpyridin-2-yl)-1-phenylurea
SCHEMBL29373459DTXSID70355074HMS2749L24AKOS000545551N-(3-methyl-2-pyridinyl)-N'-phenylureaN-(3-Methylpyridin-2-yl)-N'-phenylureaSMR000282361AB00076727-01
Database identifiers
- CAS
35466-42-3- PubChem CID
- 790718
- DTXSID
DTXSID70355074- ChEMBL
CHEMBL1542264- EC Number
- 651-349-6
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Experimental & physicochemical properties
Solubility4.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- 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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