Basic information
- CAS
18471-30-2- Standard SMILES
CCN1CCC(NC(=O)Nc2ccc(OC)cc2)C1- InChIKey
AZKKREYRSKLZMK-UHFFFAOYSA-N- Molecular formula
- C14H21N3O2
- Average molar mass
- 263.34 g/mol
- Monoisotopic mass
- 263.16337692
Names & identifiers
- Preferred name
- N'-(1-Ethylpyrrolidin-3-yl)-N-(4-methoxyphenyl)carbamimidic acid
- IUPAC
- 1-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenyl)urea
- English name
- 1-(1-Ethyl-3-pyrrolidinyl)-3-(p-methoxyphenyl)urea
- Molecular formula
- C14H21N3O2
- Molecular weight
- 263.34
Names & synonyms
18471-30-2DTXSID60939882N'-(1-Ethylpyrrolidin-3-yl)-N-(4-methoxyphenyl)carbamimidic acidRefChem:1090120DTXCID4013683681-(1-Ethyl-3-pyrrolidinyl)-3-(p-methoxyphenyl)urea1-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenyl)ureaBRN 0483981Urea, 1-(1-ethyl-3-pyrrolidinyl)-3-(p-methoxyphenyl)-Urea, N-(1-ethyl-3-pyrrolidinyl)-N'-(4-methoxyphenyl)-
Database identifiers
- CAS
18471-30-2- PubChem CID
- 205684
- DTXSID
DTXSID60939882- Nikkaji
- J87.721B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Boiling point
- 378.5 · 378.5±42.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 13.48 · 13.48±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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