1-(2-Phenylethyl)guanidine
Basic information
- CAS
538-69-2- Standard SMILES
NC(N)=NCCc1ccccc1- InChIKey
GWKLNCUXOUHWLL-UHFFFAOYSA-N- Molecular formula
- C9H13N3
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.11094743
Names & identifiers
- Preferred name
- 1-(2-Phenylethyl)guanidine
- IUPAC
- 2-(2-phenylethyl)guanidine
Names & synonyms
1-(2-phenylethyl)guanidine538-69-21-Phenethylguanidine2-(2-phenylethyl)guanidineMFCD00460579N-(2-Phenylethyl)guanidineN-Phenethyl-guanidineSCHEMBL837644SCHEMBL837645SCHEMBL5839533SCHEMBL5839538SCHEMBL6682075
Show more names
SCHEMBL6700723SCHEMBL7630047SCHEMBL8356405CHEMBL1908874STL197572AKOS009145496
Database identifiers
- CAS
538-69-2- PubChem CID
- 294869
- ChEMBL
CHEMBL1908874- Nikkaji
- J54.002A
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 144
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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