Basic information
- CAS
1219-47-2- Standard SMILES
CC[NH+](CC)CC#CCNC(=O)c1ccccc1.[Cl-]- InChIKey
NAVKVFQJXSMMSG-UHFFFAOYSA-N- Molecular formula
- C15H21ClN2O
- Average molar mass
- 280.79 g/mol
- Monoisotopic mass
- 280.134241
Names & identifiers
- Preferred name
- Benzamide, N-(4-(diethylamino)-2-butyn-1-yl)-, hydrochloride (1:1)
- IUPAC
- 4-benzamidobut-2-ynyl(diethyl)azanium chloride
Names & synonyms
1219-47-2RefChem:1078074Benzamide, N-(4-(diethylamino)-2-butyn-1-yl)-, hydrochloride (1:1)N-(4-(Diethylamino)-2-butynyl)benzamide monohydrochlorideBENZAMIDE, N-(4-(DIETHYLAMINO)-2-BUTYNYL)-, MONOHYDROCHLORIDE
Database identifiers
- CAS
1219-47-2- PubChem CID
- 14643
Properties
Computed structural properties
- Topological polar surface area
- 33.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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