2-Acetylguanidinium | SBID = 765 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 83.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.8 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 3.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 75.5 | ||
| Sum Formula: | C3H8N3O+ | ||
| M / g/mol: | 102.12 | ||
| Complexity: | 103.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags: charged
- Name: 2-Acetylguanidinium
- Preferred Abbreviation: 2-Acetylguanidinium
- IUPAC Name: acetyl(diaminomethylidene)azanium
- CAS: 5699-40-1
- CID: 6992225
- InChiKey: NGGXACLSAZXJGM-UHFFFAOYSA-O
- InChi: InChI=1S/C3H7N3O/c1-2(7)6-3(4)5/h1H3,(H4,4,5,6,7)/p+1
- CanoSmiles: CC(=O)[NH+]=C(N)N
- IsoSmiles: CC(=O)[NH+]=C(N)N
