Basic information
- CAS
17683-69-1- Standard SMILES
C[NH+](CCCc1ccccc1)CCOC(=O)Nc1ccc([N+](=O)[O-])cc1.[Cl-]- InChIKey
RZSJYQXTUBMNKH-UHFFFAOYSA-N- Molecular formula
- C19H24ClN3O4
- Average molar mass
- 393.9 g/mol
- Monoisotopic mass
- 393.1455339
Names & identifiers
- Preferred name
- Carbanilic acid, p-nitro-, 2-(methyl(3-phenylpropyl)amino)ethyl ester, hydrochloride
- IUPAC
- methyl-[2-[(4-nitrophenyl)carbamoyloxy]ethyl]-(3-phenylpropyl)azanium chloride
Names & synonyms
Carbanilic acid, p-nitro-, 2-(methyl(3-phenylpropyl)amino)ethyl ester, hydrochloride17683-69-1RefChem:1081135p-Nitrocarbanilic acid 2-(methyl(3-phenylpropyl)amino)ethyl ester hydrochloride
Database identifiers
- CAS
17683-69-1- PubChem CID
- 28684
Properties
Computed structural properties
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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