1-Benzyl-3-(1-naphthyl)urea
Basic information
- CAS
13256-79-6- Standard SMILES
O=C(NCc1ccccc1)Nc1cccc2ccccc12- InChIKey
FWIZGBBRZIIRBG-UHFFFAOYSA-N- Molecular formula
- C18H16N2O
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.12626314
Names & identifiers
- Preferred name
- 1-Benzyl-3-(1-naphthyl)urea
- IUPAC
- 1-benzyl-3-naphthalen-1-ylurea
- English name
- 1-Benzyl-3-(1-naphthyl)urea
- Molecular formula
- C18H16N2O
- Molecular weight
- 276.33
Names & synonyms
1-BENZYL-3-(1-NAPHTHYL)UREARefChem:429814653-451-613256-79-61-benzyl-3-(naphthalen-1-yl)urea1-benzyl-3-naphthalen-1-ylurea1-benzyl-3-naphthalen-1-yl-urea3-BENZYL-1-(NAPHTHALEN-1-YL)UREAMLS001005315SCHEMBL1395176N-benzyl-N'-(1-naphthyl)ureaCHEMBL1347394
Show more names
Urea, N-1-naphthalenyl-N'-(phenylmethyl)-N'-Benzyl-N-(naphthalen-1-yl)carbamimidic acid
SCHEMBL29971510FWIZGBBRZIIRBG-UHFFFAOYSA-NN-Benzyl-N'-naphthalen-1-ylureaBDBM119688DTXSID501330695HMS2679K06(naphthylamino)-N-benzylcarboxamideN-naphtyl-N-benzylurea derivative 1
Database identifiers
- CAS
13256-79-6- PubChem CID
- 668231
- DTXSID
DTXSID501330695- ChEMBL
CHEMBL1347394- EC Number
- 653-451-6
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 338
Experimental & physicochemical properties
Solubility0.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 196 · 196-198 °C(Solv: ethanol (64-17-5))
- Boiling point
- 458.4 · 458.4±28.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 13.92 · 13.92±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400-H302
- Precautionary statements
- 273 · P273-P391-P501-P264-P270-P301+P312-P330-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, 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. 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,GHS09
- Hazard statements
- H400-H302
- Precautionary statements
- P273-P391-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses1-Benzyl-3-naphthalen-1-yl-urea is an impurity of Tideglusib (T438700); a compound used in the treatment of brain atrophy and movement disorder issues. 1-Benzyl-3-naphthalen-1-yl-urea is also a potential glycogen synthase kinase 3β (GSK-3) inhibitor.
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Compound notes
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