Basic information
- CAS
60959-22-0- Standard SMILES
Cc1noc(C)c1N(C)C(=N)N(C)C(=N)N.Cl- InChIKey
CVIMFMXOFUCZHP-UHFFFAOYSA-N- Molecular formula
- C9H17ClN6O
- Average molar mass
- 260.72 g/mol
- Monoisotopic mass
- 260.1152369
Names & identifiers
- Preferred name
- Imidodicarbonimidic diamide, N,N-dimethyl-N'-(3,5-dimethyl-4-isoxazolyl)-, monohydrochloride
- IUPAC
- 1-carbamimidoyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dimethylguanidine;hydrochloride
Names & synonyms
60959-22-0Imidodicarbonimidic diamide, N,N-dimethyl-N'-(3,5-dimethyl-4-isoxazolyl)-, monohydrochlorideRefChem:1087256N,N-Dimethyl-N'-(3,5-dimethyl-4-isoxazolyl)imidodicarbonimidic diamide monohydrochlorideDTXSID20976430N-(3,5-Dimethyl-1,2-oxazol-4-yl)-N,N-dimethyltriimidodicarbonic diamide--hydrogen chloride (1/1)
Database identifiers
- CAS
60959-22-0- PubChem CID
- 3045555
- DTXSID
DTXSID20976430
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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