Basic information
- CAS
18006-56-9- Standard SMILES
O=C(NCCc1ccccc1)Nc1ccccc1- InChIKey
IAJCQLOENFFYTI-UHFFFAOYSA-N- Molecular formula
- C15H16N2O
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.12626314
Names & identifiers
- Preferred name
- 1-Phenethyl-3-phenylurea
- IUPAC
- 1-phenyl-3-(2-phenylethyl)urea
- English name
- N-Phenyl((2-phenylethyl)amino)formamide
- Molecular formula
- C15H16N2O
- Molecular weight
- 240.3
Names & synonyms
1-phenethyl-3-phenylurea18006-56-91-phenyl-3-(2-phenylethyl)urea3-phenyl-1-(2-phenylethyl)ureaN-phenyl-N'-(2-phenylethyl)ureaNSC 131953CHEMBL1288609NSC-131953urea, n-phenyl-n'-(2-phenylethyl)-1-phenethyl-3-phenyl-ureaMFCD00020636NSC131953
Show more names
AURORA 264N-Phenyl((2-phenylethyl)amino)formamide
n-phenyl-n'-phenethylureaYGF2W9UB5ACambridge id 5147705Oprea1_340750CBDivE_004414F3150-4641SCHEMBL4606056SCHEMBL27475656
Database identifiers
- CAS
18006-56-9- PubChem CID
- 97552
- DTXSID
DTXSID80170912- ChEMBL
CHEMBL1288609- UNII
- YGF2W9UB5A
- Nikkaji
- J1.197.653K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Melting point
- 153 · 153-154 °C
- Boiling point
- 381.8 · 381.8±25.0 °C(Predicted)
- Density
- 1.152 · 1.152±0.06 g/cm3(Predicted)
- pka
- 12.33 · 12.33±0.46(Predicted)
Chemistry & industry
Suppliers5 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
MENAI[email protected]
AURORA[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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