[3-[Bis(2-hydroxyethyl)amino]-5-(carbamoylamino)phenyl]urea
Basic information
- CAS
58200-09-2- Standard SMILES
NC(=O)Nc1cc(NC(N)=O)cc(N(CCO)CCO)c1- InChIKey
CKJQZPKZRGMHBY-UHFFFAOYSA-N- Molecular formula
- C12H19N5O4
- Average molar mass
- 297.31 g/mol
- Monoisotopic mass
- 297.1437041
Names & identifiers
- Preferred name
- [3-[Bis(2-hydroxyethyl)amino]-5-(carbamoylamino)phenyl]urea
- IUPAC
- [3-[bis(2-hydroxyethyl)amino]-5-(carbamoylamino)phenyl]urea
Names & synonyms
58200-09-2NSC173350[3-[bis(2-hydroxyethyl)amino]-5-(carbamoylamino)phenyl]ureaDTXSID50306029NSC-173350N,N'-{5-[Bis(2-hydroxyethyl)amino]-1,3-phenylene}diurea
Database identifiers
- CAS
58200-09-2- PubChem CID
- 299863
- DTXSID
DTXSID50306029
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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