Basic information
- Standard SMILES
CCC(C)(C)N=C(NC#N)Nc1cc(Cl)cc(N=[N+]=[N-])c1- InChIKey
ZDALSLFMUFLSHP-UHFFFAOYSA-N- Molecular formula
- C13H16ClN7
- Average molar mass
- 305.76 g/mol
Names & identifiers
- Preferred name
- N-(3-azido-5-chlorophenyl)-N'-cyano-N"-(1,1-dimethylpropyl)guanidine
- IUPAC
- 1-(3-azido-5-chlorophenyl)-3-cyano-2-(2-methylbutan-2-yl)guanidine
Names & synonyms
ZDALSLFMUFLSHP-UHFFFAOYSA-NN-(3-azido-5-chlorophenyl)-N'-cyano-N"-(1,1-dimethylpropyl)guanidine
Database identifiers
- PubChem CID
- 86749554
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 472
Related reactions
2 records
Compound notes
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