Basic information
- CAS
110437-09-7- Standard SMILES
CCOC(=O)c1ccccc1NC(=O)C(C[NH+](CC)CC)[NH+](CC)CC.[Cl-].[Cl-]- InChIKey
FOJRMBSZMQTPQC-UHFFFAOYSA-N- Molecular formula
- C20H35Cl2N3O3
- Average molar mass
- 436.4 g/mol
- Monoisotopic mass
- 435.2055474
Names & identifiers
- Preferred name
- Anthranilic acid, N-(2,3-bis(diethylamino)propionyl)-, ethyl ester, dihydrochloride
- IUPAC
- [3-(diethylazaniumyl)-1-(2-ethoxycarbonylanilino)-1-oxopropan-2-yl]-diethylazanium dichloride
Names & synonyms
110437-09-7N-(2,3-Bis(diethylamino)propionyl)anthranilic acid ethyl ester dihydrochlorideAnthranilic acid, N-(2,3-bis(diethylamino)propionyl)-, ethyl ester, dihydrochlorideRefChem:319803[2-diethylammonio-1-[(2-ethoxycarbonylphenyl)carbamoyl]ethyl]-diethyl- azanium dichloride[3-(diethylazaniumyl)-1-(2-ethoxycarbonylanilino)-1-oxopropan-2-yl]-diethylazanium;dichloride
Database identifiers
- CAS
110437-09-7- PubChem CID
- 60439
Properties
Computed structural properties
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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