Basic information
- CAS
5327-69-5- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)O.NC(N)=Nc1ccccc1- InChIKey
CCQCCIRGYHSJGU-UHFFFAOYSA-N- Molecular formula
- C25H45N3O2
- Average molar mass
- 419.6 g/mol
- Monoisotopic mass
- 419.35117769
Names & identifiers
- Preferred name
- Guanidine, 1-phenyl-, stearate
- IUPAC
- octadecanoic acid;2-phenylguanidine
Names & synonyms
1-Phenylguanidine stearateGuanidine, 1-phenyl-, stearate5327-69-5NSC 3387DTXSID80201396RefChem:346903DTXCID80123887Octadecanoic acid, compd. with phenylguanidine (1:1) (9CI)octadecanoic acid- 2-phenylguanidine(1:1)NSC3387NSC-3387Octadecanoic acid--N''-phenylguanidine (1/1)
Database identifiers
- CAS
5327-69-5- PubChem CID
- 79232
- DTXSID
DTXSID80201396
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…