Basic information
- CAS
107598-66-3- Standard SMILES
CCCc1ccc(NC(=O)N(C)C)cc1C- InChIKey
MXRLGOGZCAXZCQ-UHFFFAOYSA-N- Molecular formula
- C13H20N2O
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.15756327
Names & identifiers
- Preferred name
- N,N-Dimethyl-N'-(3-methyl-4-propylphenyl)urea
- IUPAC
- 1,1-dimethyl-3-(3-methyl-4-propylphenyl)urea
Names & synonyms
N,N-Dimethyl-N'-(3-methyl-4-propylphenyl)urea107598-66-3Urea, N,N-dimethyl-N'-(3-methyl-4-propylphenyl)-DTXSID6073780
Database identifiers
- CAS
107598-66-3- PubChem CID
- 86282
- DTXSID
DTXSID6073780- Nikkaji
- J1.595.571F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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