Basic information
- CAS
63981-50-0- Standard SMILES
C=CCNC(=O)OCC[N+](C)(C)C.[Cl-]- InChIKey
YLSSDTLINWPQKJ-UHFFFAOYSA-N- Molecular formula
- C9H19ClN2O2
- Average molar mass
- 222.71 g/mol
- Monoisotopic mass
- 222.1135055
Names & identifiers
- Preferred name
- Ammonium, (2-hydroxyethyl)trimethyl-, chloride, allylcarbamate
- IUPAC
- trimethyl-[2-(prop-2-enylcarbamoyloxy)ethyl]azanium chloride
Names & synonyms
AMMONIUM, (2-HYDROXYETHYL)TRIMETHYL-, CHLORIDE, ALLYLCARBAMATE63981-50-0RefChem:1076732Carbamic acid, allyl-, 2-(trimethylammonio)ethyl ester, chlorideNIOSH/GA0750000Choline, chloride, allylcarbamateGA07500000N-Allylurethane of trimethyl-2-hydroxyethylammonium chlorideAmmonium, (2-(N-allylcarbamoyloxy)ethyl)trimethyl-, chlorideCarbamic acid, N-allyl-, 2-dimethylaminoethyl ester, methochloride
Database identifiers
- CAS
63981-50-0- PubChem CID
- 45955
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 173
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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