Basic information
- CAS
53731-87-6- Standard SMILES
COc1ccc(NC(=O)NO)cc1- InChIKey
LESWPEHJOFXIJI-UHFFFAOYSA-N- Molecular formula
- C8H10N2O3
- Average molar mass
- 182.18 g/mol
- Monoisotopic mass
- 182.06914219
Names & identifiers
- Preferred name
- 1-(P-Anisyl)-3-hydroxyurea
- IUPAC
- 1-hydroxy-3-(4-methoxyphenyl)urea
- English name
- 1-(p-Anisyl)-3-hydroxyurea
- Molecular formula
- C8H10N2O3
- Molecular weight
- 182.18
Names & synonyms
1-(P-ANISYL)-3-HYDROXYUREARefChem:428213622-303-21-hydroxy-3-(4-methoxyphenyl)urea53731-87-6CHEMBL123483NSC166640SCHEMBL11875380DTXSID70304648N-hydroxy-N'-(4-methoxyphenyl)ureaBDBM50377114AKOS024335514
Show more names
Urea, N-hydroxy-N'-(4-methoxyphenyl)-
NSC-166640
Database identifiers
- CAS
53731-87-6- PubChem CID
- 296476
- DTXSID
DTXSID70304648- ChEMBL
CHEMBL123483- EC Number
- 622-303-2
- Nikkaji
- J1.785.831I
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Density
- 1.336 · 1.336±0.06 g/cm3(Predicted)
- pka
- 9.96 · 9.96±0.23(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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