N,N-Dimethyl-N'-(3-methylphenyl)-N'-prop-2-yn-1-ylurea
Basic information
- CAS
92960-75-3- Standard SMILES
C#CCN(C(=O)N(C)C)c1cccc(C)c1- InChIKey
CDFQYLBFLZPBEZ-UHFFFAOYSA-N- Molecular formula
- C13H16N2O
- Average molar mass
- 216.28 g/mol
- Monoisotopic mass
- 216.12626314
Names & identifiers
- Preferred name
- N,N-Dimethyl-N'-(3-methylphenyl)-N'-prop-2-yn-1-ylurea
- IUPAC
- 1,1-dimethyl-3-(3-methylphenyl)-3-prop-2-ynylurea
Names & synonyms
92960-75-3NSC524324DTXSID00326131N,N-Dimethyl-N'-(3-methylphenyl)-N'-prop-2-yn-1-ylureaNSC-524324N,N-Dimethyl-N'-(3-methylphenyl)-N'-(prop-2-yn-1-yl)urea
Database identifiers
- CAS
92960-75-3- PubChem CID
- 351996
- DTXSID
DTXSID00326131
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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