Basic information
- CAS
69921-35-3- Standard SMILES
C#CCN(CC#C)C(=O)Nc1ccc(Cl)cc1- InChIKey
RDRVGGLZHNTIPG-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2O
- Average molar mass
- 246.69 g/mol
- Monoisotopic mass
- 246.0559907
Names & identifiers
- Preferred name
- Urea, 1-(p-chlorophenyl)-3,3-di(2-propynyl)-
- IUPAC
- 3-(4-chlorophenyl)-1,1-bis(prop-2-ynyl)urea
- English name
- 1-(p-Chlorophenyl)-3,3-di(2-propynyl)urea
- Molecular formula
- C13H11ClN2O
- Molecular weight
- 246.69
Names & synonyms
69921-35-3Urea, 1-(p-chlorophenyl)-3,3-di(2-propynyl)-DTXSID40220200RefChem:1100770DTXCID001426913-(4-chlorophenyl)-1,1-bis(prop-2-ynyl)urea1,1-Di(2-propynyl)-3-p-chlorophenylureaBRN 2845609NSC196157Urea,N-di-2-propynyl-Urea,3-di(2-propynyl)-WLN: GR DMVN2UU1&2UU1
Show more names
1-(p-Chlorophenyl)-3,3-di(2-propynyl)ureaUrea, N'-(4-chlorophenyl)-N,N-di-2-propyn-1-yl-
NSC 196157NSC-196157DS-012527Urea, n-(4-chlorophenyl)-n,n-di-2-propynyl-N'-(4-Chlorophenyl)-N,N-di(prop-2-yn-1-yl)urea
Database identifiers
- CAS
69921-35-3- PubChem CID
- 99201
- DTXSID
DTXSID40220200- Nikkaji
- J87.596A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Boiling point
- 422.4 · 422.4±45.0 °C(Predicted)
- Density
- 1.286 · 1.286±0.06 g/cm3(Predicted)
- pka
- 12.84 · 12.84±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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