Basic information
- CAS
2452-58-6- Standard SMILES
CC[NH+](CC)CCOC(=O)c1ccc(N=C[NH+](C)C)cc1.[Cl-].[Cl-]- InChIKey
YNECUNMGIOXHCS-UHFFFAOYSA-N- Molecular formula
- C16H27Cl2N3O2
- Average molar mass
- 364.3 g/mol
- Monoisotopic mass
- 363.1480325
Names & identifiers
- Preferred name
- beta-Diethylaminoethyl p-(dimethylaminomethyleneamino)benzoate dihydrochloride
- IUPAC
- [4-[2-(diethylazaniumyl)ethoxycarbonyl]phenyl]iminomethyl-dimethylazanium dichloride
Names & synonyms
beta-Diethylaminoethyl p-(dimethylaminomethyleneamino)benzoate dihydrochloride2452-58-6Benzoic acid, p-(dimethylaminomethyleneamino)-, 2-diethylaminoethyl ester, dihydrochloridep-(Dimethylaminomethyleneamino)benzoic acid diethylaminoethyl ester dihydrochloride
Database identifiers
- CAS
2452-58-6- PubChem CID
- 17145
Properties
Computed structural properties
- Topological polar surface area
- 47.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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