Basic information
- CAS
6774-16-9- Standard SMILES
CN(CCc1ccccc1)C(=O)NC(N)=O- InChIKey
BJMYAMSLFPKKNG-UHFFFAOYSA-N- Molecular formula
- C11H15N3O2
- Average molar mass
- 221.26 g/mol
- Monoisotopic mass
- 221.11642673
Names & identifiers
- Preferred name
- Biuret, 1-methyl-1-phenethyl-
- IUPAC
- 3-carbamoyl-1-methyl-1-(2-phenylethyl)urea
- English name
- 1-Methyl-1-(2-phenylethyl)biuret
- Molecular formula
- C11H15N3O2
- Molecular weight
- 221.26
Names & synonyms
BIURET, 1-METHYL-1-PHENETHYL-1-Methyl-1-phenethylbiuretBRN 27363486774-16-9DTXSID90218016RefChem:329985DTXCID10140507N-Methyl-N-(2-phenylethyl)-2-imidodicarbonic diamide1-Methyl-1-(2-phenylethyl)biuretImidodicarbonic diamide, N-methyl-N-(2-phenylethyl)-
Database identifiers
- CAS
6774-16-9- PubChem CID
- 23220
- DTXSID
DTXSID90218016- Nikkaji
- J42.062J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Melting point
- 147 · 147-148 °C
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- pka
- 10.83 · 10.83±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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