Basic information
- CAS
42197-95-5- Standard SMILES
Cl.NC(N)=NC(N)=Nc1ccc(N=C(N)N=C(N)N)cc1- InChIKey
VIHAZJPHQYBDHV-UHFFFAOYSA-N- Molecular formula
- C10H17ClN10
- Average molar mass
- 312.76 g/mol
- Monoisotopic mass
- 312.1326183
Names & identifiers
- Preferred name
- N,N''''-1,4-Phenyleneditriimidodicarbonic diamide--hydrogen chloride (1/1)
- IUPAC
- 2-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-1-(diaminomethylidene)guanidine;hydrochloride
Names & synonyms
42197-95-5DTXSID80962359NSC142092N,N''''-1,4-Phenyleneditriimidodicarbonic diamide--hydrogen chloride (1/1)NSC-142092
Database identifiers
- CAS
42197-95-5- PubChem CID
- 54598539
- DTXSID
DTXSID80962359
Properties
Computed structural properties
- Topological polar surface area
- 206 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…