Ammonium, (3-hydroxy-p-tolyl)acetonyldimethyl-, chloride, methylcarbamate
Basic information
- CAS
64050-93-7- Standard SMILES
CNC(=O)Oc1cc([N+](C)(C)CC(C)=O)ccc1C.[Cl-]- InChIKey
VCHHKWURIICYMK-UHFFFAOYSA-N- Molecular formula
- C14H21ClN2O3
- Average molar mass
- 300.78 g/mol
- Monoisotopic mass
- 300.1240702
Names & identifiers
- Preferred name
- Ammonium, (3-hydroxy-p-tolyl)acetonyldimethyl-, chloride, methylcarbamate
- IUPAC
- dimethyl-[4-methyl-3-(methylcarbamoyloxy)phenyl]-(2-oxopropyl)azanium chloride
Names & synonyms
TL-1512Carbamic acid, methyl-, (5-(acetonyldimethylammonio)-o-tolyl) ester, chlorideAmmonium, (3-(methylcarbamoyloxy)-p-tolyl)acetonyldimethyl-, chlorideAMMONIUM, (3-HYDROXY-p-TOLYL)ACETONYLDIMETHYL-, CHLORIDE, METHYLCARBAMATECarbamic acid, N-methyl-, 2-methyl-5-dimethylaminophenyl ester, acetonylchloride64050-93-7RefChem:318861
Database identifiers
- CAS
64050-93-7- PubChem CID
- 47038
Properties
Computed structural properties
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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