Acetylcholine chloride | SBID = 612 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 26.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C7H16ClNO2 | ||
| M / g/mol: | 181.66 | ||
| Complexity: | 115.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: neurotransmitter, typical guest, charged, drug
- Name: Acetylcholine chloride
- Preferred Abbreviation: Acetylcholine chloride
- IUPAC Name: 2-acetyloxyethyl(trimethyl)azanium;chloride
- CAS: 60-31-1
- CID: 6060
- InChiKey: JUGOREOARAHOCO-UHFFFAOYSA-M
- InChi: InChI=1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
- CanoSmiles: CC(=O)OCC[N+](C)(C)C.[Cl-]
- IsoSmiles: CC(=O)OCC[N+](C)(C)C.[Cl-]
