1-Ethyl-3-(morpholin-4-ylmethyl)urea
Basic information
- CAS
7498-02-4- Standard SMILES
CCNC(=O)NCN1CCOCC1- InChIKey
BDIDEQARMJLJCE-UHFFFAOYSA-N- Molecular formula
- C8H17N3O2
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.13207679
Names & identifiers
- Preferred name
- 1-Ethyl-3-(morpholin-4-ylmethyl)urea
- IUPAC
- 1-ethyl-3-(morpholin-4-ylmethyl)urea
- English name
- 1-Ethyl-3-(morpholin-4-ylmethyl)urea
- Molecular formula
- C8H17N3O2
- Molecular weight
- 187.24
Names & synonyms
7498-02-41-ethyl-3-(morpholin-4-ylmethyl)ureaNSC407325DTXSID00324632N-ethyl-N'-(4-morpholinylmethyl)ureaNSC-407325N-Ethyl-N'-[(morpholin-4-yl)methyl]ureaUrea, N-ethyl-N'-(4-morpholinylmethyl)-
Database identifiers
- CAS
7498-02-4- PubChem CID
- 348168
- DTXSID
DTXSID00324632
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 109.6 · 109.6-110.8 °C
- Boiling point
- 364.2 · 364.2±27.0 °C(Predicted)
- Density
- 1.076 · 1.076±0.06 g/cm3(Predicted)
- pka
- 14.5 · 14.50±0.46(Predicted)
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Compound notes
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