Basic information
- CAS
2169-41-7- Standard SMILES
CC[NH+](CC)CCNC(=O)c1ccc([N+](=O)[O-])cc1.[Cl-]- InChIKey
NGRDFVAIXCRXHN-UHFFFAOYSA-N- Molecular formula
- C13H20ClN3O3
- Average molar mass
- 301.77 g/mol
- Monoisotopic mass
- 301.1193192
Overview
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Names & identifiers
- Preferred name
- N-(2-(Diethylamino)ethyl)-p-nitrobenzamide hydrochloride
- IUPAC
- diethyl-[2-[(4-nitrobenzoyl)amino]ethyl]azanium chloride
Names & synonyms
N-(2-(Diethylamino)ethyl)-p-nitrobenzamide hydrochlorideBENZAMIDE, N-(2-(DIETHYLAMINO)ETHYL)-p-NITRO-, HYDROCHLORIDE
Database identifiers
- CAS
2169-41-7- PubChem CID
- 16571
Properties
Computed structural properties
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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