Basic information
- CAS
102585-98-8- Standard SMILES
CCCOc1cc(N)ccc1C(=O)NCC[NH+](CC)CC.[Cl-]- InChIKey
VOHHQSPZZGCSCB-UHFFFAOYSA-N- Molecular formula
- C16H28ClN3O2
- Average molar mass
- 329.9 g/mol
- Monoisotopic mass
- 329.1870048
Names & identifiers
- Preferred name
- Benzamide, 4-amino-N-(2-(diethylamino)ethyl)-2-propoxy-, monohydrochloride
- IUPAC
- 2-[(4-amino-2-propoxybenzoyl)amino]ethyl-diethylazanium chloride
Names & synonyms
4-Amino-N-(2-(diethylamino)ethyl)-2-propoxy-benzamide hydrochlorideBENZAMIDE, 4-AMINO-N-(2-(DIETHYLAMINO)ETHYL)-2-PROPOXY-, MONOHYDROCHLORIDE102585-98-8RefChem:321687
Database identifiers
- CAS
102585-98-8- PubChem CID
- 59671
Properties
Computed structural properties
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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