Allylguanidine
Basic information
- CAS
294864-27-0- Standard SMILES
C=CCN=C(N)N- InChIKey
WUEZQZHHXYEAQM-UHFFFAOYSA-N- Molecular formula
- C4H9N3
- Average molar mass
- 99.13 g/mol
- Monoisotopic mass
- 99.0796473
Names & identifiers
- Preferred name
- Allylguanidine
- IUPAC
- 2-prop-2-enylguanidine
Names & synonyms
allylguanidineN-Prop-2-en-1-ylguanidineSCHEMBL28604SCHEMBL28605SCHEMBL37468SCHEMBL369050CHEMBL457863SCHEMBL1389119SCHEMBL2828580SCHEMBL4755257SCHEMBL6589055DTXSID401316050
Show more names
AKOS011644161294864-27-0
Database identifiers
- CAS
294864-27-0- PubChem CID
- 4092846
- DTXSID
DTXSID401316050- ChEMBL
CHEMBL457863- Nikkaji
- J3.335.485A
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 80.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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