Basic information
- CAS
38224-48-5- Standard SMILES
Cl.Cl.N=C(N)c1ccc(-n2nc3ccc(C(=N)N)cc3n2)cc1- InChIKey
DNSRXDNWULQNLB-UHFFFAOYSA-N- Molecular formula
- C14H15Cl2N7
- Average molar mass
- 352.2 g/mol
- Monoisotopic mass
- 351.0765989
Names & identifiers
- Preferred name
- 2H-Benzotriazole-5-carboximidamide, 2-(4-(aminoiminomethyl)phenyl)-, dihydrochloride
- IUPAC
- 2-(4-carbamimidoylphenyl)benzotriazole-5-carboximidamide;dihydrochloride
Names & synonyms
38224-48-52H-Benzotriazole-5-carboximidamide, 2-(4-(aminoiminomethyl)phenyl)-, dihydrochlorideDTXSID40959164NSC 2408962-(4-Carbamimidoylphenyl)-2H-benzotriazole-5-carboximidamide--hydrogen chloride (1/2)2-(4-Carbamimidoylphenyl)-2H-1,2,3-benzotriazole-5-carboximidamide--hydrogen chloride (1/2)
Database identifiers
- CAS
38224-48-5- PubChem CID
- 148237
- DTXSID
DTXSID40959164
Properties
Computed structural properties
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 416
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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