Basic information
- CAS
46123-83-5- Standard SMILES
NC(N)=NCc1ccc(Cl)cc1- InChIKey
CYYQVFZVCJFKES-UHFFFAOYSA-N- Molecular formula
- C8H10ClN3
- Average molar mass
- 183.64 g/mol
- Monoisotopic mass
- 183.056325
Names & identifiers
- Preferred name
- Guanidine, (p-chlorobenzyl)-
- IUPAC
- 2-[(4-chlorophenyl)methyl]guanidine
Names & synonyms
46123-83-5GUANIDINE, (p-CHLOROBENZYL)-(p-Chlorobenzyl)guanidineGuanidine, ((4-chlorophenyl)methyl)-NSC 525351BRN 2415529DTXSID601967363-12-00-02346 (Beilstein Handbook Reference)RefChem:346781DTXCID001192271-(4-Chlorobenzyl)guanidine2-[(4-chlorophenyl)methyl]guanidine
Show more names
N-[(4-chlorophenyl)methyl]guanidine1-[(4-Chlorophenyl)methyl]guanidineNSC525351P-CHLOROBENZYLGUANIDINECHEMBL466431SCHEMBL4018773SCHEMBL9667523MFCD01724368
Database identifiers
- CAS
46123-83-5- PubChem CID
- 39440
- DTXSID
DTXSID60196736- ChEMBL
CHEMBL466431- Nikkaji
- J362.738A
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 158
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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