Basic information
- CAS
30826-85-8- Standard SMILES
CCN1CCCN(CC)C1=O- InChIKey
HLWPXRDVZZOLHS-UHFFFAOYSA-N- Molecular formula
- C8H16N2O
- Average molar mass
- 156.23 g/mol
- Monoisotopic mass
- 156.12626314
Names & identifiers
- Preferred name
- N,N'-Diethylpropyleneurea
- IUPAC
- 1,3-diethyl-1,3-diazinan-2-one
- English name
- 1,3-Diethyl-3,4,5,6-tetrahydropyrimidin-2(1H)-one
- Molecular formula
- C8H16N2O
- Molecular weight
- 156.23
Names & synonyms
1,3-Diethylhexahydropyrimid-2-oneN,N'-Diethyltrimethyleneurea2(1H)-Pyrimidinone, tetrahydro-1,3-diethyl-n,n'-diethylpropyleneurea2(1H)-Pyrimidinone, 1,3-diethyltetrahydro-NSC 186244BRN 0509180N3UC7W0087Tetrahydro-1,3-diethyl-2(1H)-pyrimidinoneNSC-1862441,3-diethyltetrahydro-2(1H)-pyrimidinoneUNII-N3UC7W0087
Show more names
1,3-Diethyl-3,4,5,6-tetrahydropyrimidin-2(1H)-one
DTXSID701848265-24-01-00197 (Beilstein Handbook Reference)RefChem:201890DTXCID101073172(1H)-Pyrimidinone, 1,3-diethyltetrahydro-(8CI)2(1H)-Pyrimidinone, 1,3-diethyltetrahydro-(8CI)(9CI)30826-85-81,3-diethyl-1,3-diazinan-2-one
Database identifiers
- CAS
30826-85-8- PubChem CID
- 99136
- DTXSID
DTXSID70184826- ChEMBL
CHEMBL11573- UNII
- N3UC7W0087
- Nikkaji
- J51.417I
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- FDA UNII
- 3 UC7W0087 · N3UC7W0087
Related reactions
1 records
Compound notes
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