Ammonium, (3-hydroxy-p-tolyl)dimethyl(2-hydroxyethyl)-, iodide, methylcarbamate
Basic information
- CAS
64050-00-6- Standard SMILES
CNC(=O)Oc1cc([N+](C)(C)CCO)ccc1C.[I-]- InChIKey
AKLHKJFXGQOGBI-UHFFFAOYSA-N- Molecular formula
- C13H21IN2O3
- Average molar mass
- 380.22 g/mol
- Monoisotopic mass
- 380.05969
Names & identifiers
- Preferred name
- Ammonium, (3-hydroxy-p-tolyl)dimethyl(2-hydroxyethyl)-, iodide, methylcarbamate
- IUPAC
- 2-hydroxyethyl-dimethyl-[4-methyl-3-(methylcarbamoyloxy)phenyl]azanium iodide
Names & synonyms
TL-1511Ammonium, (3-(methylcarbamoyloxy)-p-tolyl)dimethyl(2-hydroxyethyl)-, iodideAMMONIUM, (3-HYDROXY-p-TOLYL)DIMETHYL(2-HYDROXYETHYL)-, IODIDE, METHYLCARBAMATECarbamic acid, N-methyl-, 2-methyl-5-dimethylaminophenyl ester, beta-hydroxyethiodide64050-00-6RefChem:318866
Database identifiers
- CAS
64050-00-6- PubChem CID
- 46960
Properties
Computed structural properties
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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