Basic information
- CAS
33054-80-7- Standard SMILES
CNC(=O)NCC(O)CNC(=O)NC- InChIKey
RFGVQIHNAUIGFL-UHFFFAOYSA-N- Molecular formula
- C7H16N4O3
- Average molar mass
- 204.23 g/mol
- Monoisotopic mass
- 204.12224039
Names & identifiers
- Preferred name
- 1,1'-(2-Hydroxypropane-1,3-diyl)bis(3-methylurea)
- IUPAC
- 1-[2-hydroxy-3-(methylcarbamoylamino)propyl]-3-methylurea
Names & synonyms
33054-80-71,1'-(2-hydroxypropane-1,3-diyl)bis(3-methylurea)NSC101568SCHEMBL13411706DTXSID80295371NSC-101568N,N'-(2-Hydroxypropane-1,3-diyl)bis(N'-methylurea)
Database identifiers
- CAS
33054-80-7- PubChem CID
- 265486
- DTXSID
DTXSID80295371
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 177
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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