N,N,N-Trimethyl-2-phenylethan-1-aminium chloride | SBID = 1039 | Compound |
Structure
Molecular Properties
| Interactions: | 5 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| 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: | |||
| Sum Formula: | C11H18ClN | ||
| M / g/mol: | 199.72 | ||
| Complexity: | 118.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: aromatic, typical guest, charged
- Name: N,N,N-Trimethyl-2-phenylethan-1-aminium chloride
- Preferred Abbreviation: Phenethyltrimethylammonium chloride
- IUPAC Name: trimethyl(2-phenylethyl)azanium;chloride
- CAS: 75337-06-3
- CID: 20164313
- InChiKey: KUSDSMLUXMFMCB-UHFFFAOYSA-M
- InChi: InChI=1S/C11H18N.ClH/c1-12(2,3)10-9-11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1
- CanoSmiles: C[N+](C)(C)CCC1=CC=CC=C1.[Cl-]
- IsoSmiles: C[N+](C)(C)CCC1=CC=CC=C1.[Cl-]
