Basic information
- CAS
104407-34-3- Standard SMILES
C[N+](C)(C)CCOC(=O)Oc1ccc([N+](=O)[O-])cc1.[Cl-]- InChIKey
XIPRCCIULKVREJ-UHFFFAOYSA-M- Molecular formula
- C12H17ClN2O5
- Average molar mass
- 304.72 g/mol
- Monoisotopic mass
- 304.0825993
Overview
RN refers to chloride; structure in first source
Names & identifiers
- Preferred name
- 4-nitrophenyl N-trimethylammonioethyl carbonate
- IUPAC
- trimethyl-[2-(4-nitrophenoxy)carbonyloxyethyl]azanium chloride
- English name
- 4-nitrophenyl N-trimethylammonioethyl carbonate
- Molecular formula
- C12H17ClN2O5
- Molecular weight
- 304.72678
Names & synonyms
4-Nitrophenyl N-trimethylammonioethyl carbonatep-Nitrophenyl-tma-carbonate104407-34-3p-Nitrophenyl N-trimethylammonioethyl carbonateRefChem:100113p-Nitrophenyl-tma-carbonate chlorideDTXSID50908961N,N,N-Trimethyl-2-{[(4-nitrophenoxy)carbonyl]oxy}ethan-1-aminium chloride
Database identifiers
- CAS
104407-34-3- PubChem CID
- 196377
- DTXSID
DTXSID50908961
Properties
Computed structural properties
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…