C 5397
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]-methylazanium dichloride
| Molecular Formula | C16H28Cl3N3O |
|---|---|
| Molecular Weight | 384.8 g/mol |
| Topological Polar Surface Area | 38.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 383.1298 |
| Heavy Atoms | 23 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 77984-94-2 |
|---|---|
| SMILES | CC[NH+](CC)CC[NH+](C)CC(=O)NC1=C(C(=CC=C1)Cl)C.[Cl-].[Cl-] |
| InChIKey | YHNWMYQYPWETMY-UHFFFAOYSA-N |
📖 Product Overview
C 5397 (CAS: 77984-94-2) is a chemical compound with molecular formula C16H28Cl3N3O and molecular weight 384.8 g/mol. Its IUPAC systematic name is [2-(3-chloro-2-methylanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]-methylazanium dichloride.
YHNWMYQYPWETMY-UHFFFAOYSA-N.
SMILES: CC[NH+](CC)CC[NH+](C)CC(=O)NC1=C(C(=CC=C1)Cl)C.[Cl-].[Cl-].
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