Basic information
- CAS
23340-11-6- Standard SMILES
Cc1cccc(C)c1NC(=O)C1CCN(C)N1C- InChIKey
HKFAFUJLRDYWCQ-UHFFFAOYSA-N- Molecular formula
- C14H21N3O
- Average molar mass
- 247.34 g/mol
- Monoisotopic mass
- 247.1684623
Names & identifiers
- Preferred name
- N-(2,6-Dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboximidic acid
- IUPAC
- N-(2,6-dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboxamide
Names & synonyms
23340-11-6DTXSID10946006N-(2,6-Dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboximidic acidRefChem:1090884DTXCID001374303BRN 06610431,2-Dimethyl-3-pyrazolidinecarboxy-2',6'-xylidide3-Pyrazolidinecarboxy-2',6'-xylidide, 1,2-dimethyl-
Database identifiers
- CAS
23340-11-6- PubChem CID
- 211543
- DTXSID
DTXSID10946006
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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