Basic information
- CAS
823235-99-0- Standard SMILES
CCC(CC)NC(=O)NCCCN(CCO)CCO- InChIKey
FQYXWWBSRKXZCK-UHFFFAOYSA-N- Molecular formula
- C13H29N3O3
- Average molar mass
- 275.39 g/mol
- Monoisotopic mass
- 275.2208918
Names & identifiers
- Preferred name
- N-{3-[Bis(2-hydroxyethyl)amino]propyl}-N'-pentan-3-ylurea
- IUPAC
- 1-[3-[bis(2-hydroxyethyl)amino]propyl]-3-pentan-3-ylurea
Names & synonyms
823235-99-0N-{3-[Bis(2-hydroxyethyl)amino]propyl}-N'-pentan-3-ylureaDTXSID30838353N-{3-[Bis(2-hydroxyethyl)amino]propyl}-N'-(pentan-3-yl)urea
Database identifiers
- CAS
823235-99-0- PubChem CID
- 71419086
- DTXSID
DTXSID30838353
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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