4-Methoxybenzenecarboximidamide-(hydroxyimino)propanedinitrile(1:1)
Basic information
- CAS
6936-54-5- Standard SMILES
COc1ccc(C(=N)N)cc1.N#CC(C#N)=NO- InChIKey
PDZCTEASMNFVBO-UHFFFAOYSA-N- Molecular formula
- C11H11N5O2
- Average molar mass
- 245.24 g/mol
- Monoisotopic mass
- 245.09127461
Names & identifiers
- Preferred name
- 4-Methoxybenzenecarboximidamide-(hydroxyimino)propanedinitrile(1:1)
- IUPAC
- 2-hydroxyiminopropanedinitrile;4-methoxybenzenecarboximidamide
Names & synonyms
6936-54-54-methoxybenzenecarboximidamide-(hydroxyimino)propanedinitrile(1:1)NSC22472DTXSID60281671NSC-22472Hydroxycarbonimidoyl dicyanide--4-methoxybenzene-1-carboximidamide (1/1)
Database identifiers
- CAS
6936-54-5- PubChem CID
- 229073
- DTXSID
DTXSID60281671
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 296
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Compound notes
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