Benzenaminium, N,N-diethyl-N-methyl-3-(((methylamino)carbonyl)oxy)-, chloride (1:1)
Basic information
- CAS
64046-12-4- Standard SMILES
CC[N+](C)(CC)c1cccc(OC(=O)NC)c1.[Cl-]- InChIKey
JLNMGRFEXZJGFZ-UHFFFAOYSA-N- Molecular formula
- C13H21ClN2O2
- Average molar mass
- 272.77 g/mol
- Monoisotopic mass
- 272.1291556
Names & identifiers
- Preferred name
- Benzenaminium, N,N-diethyl-N-methyl-3-(((methylamino)carbonyl)oxy)-, chloride (1:1)
- IUPAC
- diethyl-methyl-[3-(methylcarbamoyloxy)phenyl]azanium chloride
Names & synonyms
64046-12-4RefChem:1078190Benzenaminium, N,N-diethyl-N-methyl-3-(((methylamino)carbonyl)oxy)-, chloride (1:1)Carbamic acid, methyl-, m-(diethylmethylammonio)phenyl ester, chlorideAR-16TL-1299T-1123Ammonium, (3-(N-methylcarbamoyloxy)phenyl)diethylmethyl-, chlorideCarbamic acid, N-methyl-, 3-diethylaminophenyl ester, methochlorideAMMONIUM, (m-HYDROXYPHENYL)DIETHYLMETHYL-, CHLORIDE, METHYLCARBAMATESCHEMBL21981144NSC128175
Show more names
NSC 128175NSC-128175Benzenaminium,N-diethyl-N-methyl-3-[[(methylamino)carbonyl]oxy]-, chloride
Database identifiers
- CAS
64046-12-4- PubChem CID
- 46574
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 252
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Compound notes
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