Basic information
- CAS
17826-48-1- Standard SMILES
NC(=NCc1ccccc1)Nc1ccc(Cl)c(Cl)c1- InChIKey
SHIMXAHDYYBUOF-UHFFFAOYSA-N- Molecular formula
- C14H13Cl2N3
- Average molar mass
- 294.2 g/mol
- Monoisotopic mass
- 293.0486528
Names & identifiers
- Preferred name
- Guanidine, 1-benzyl-3-(3,4-dichlorophenyl)-
- IUPAC
- 2-benzyl-1-(3,4-dichlorophenyl)guanidine
Names & synonyms
Bayer 81174BAY 8117417826-48-11-Benzyl-3-(3,4-dichlorophenyl)guanidineGUANIDINE, 1-BENZYL-3-(3,4-DICHLOROPHENYL)-DTXSID60170450Guanidine, N-(3,4-dichlorophenyl)-N'-(phenylmethyl)-RefChem:346883DTXCID1092941Guanidine, N-(3,4-dichlorophenyl)-N'-(phenylmethyl)-(9CI)N''-Benzyl-N-(3,4-dichlorophenyl)guanidine
Database identifiers
- CAS
17826-48-1- PubChem CID
- 28799
- DTXSID
DTXSID60170450
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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