Carbanilic acid, o-(ethoxymethyl)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, oxalate (1:1)
Basic information
- CAS
80171-81-9- Standard SMILES
CCOCc1ccccc1NC(=O)OCC[NH+]1CCCCCC1.O=C([O-])C(=O)O- InChIKey
KUBFSVCNGXINIL-UHFFFAOYSA-N- Molecular formula
- C20H30N2O7
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.2053013
Names & identifiers
- Preferred name
- Carbanilic acid, o-(ethoxymethyl)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, oxalate (1:1)
- IUPAC
- 2-(azepan-1-ium-1-yl)ethyl N-[2-(ethoxymethyl)phenyl]carbamate;2-hydroxy-2-oxoacetate
Names & synonyms
AMK 225Carbanilic acid, o-(ethoxymethyl)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, oxalate (1:1)80171-81-9DTXSID902301322-(Hexahydro-1H-azepin-1-yl)ethyl o-(ethoxymethyl)carbanilate oxalateo-(Ethoxymethyl)carbanilic acid 2-(hexahydro-1H-azepin-1-yl)ethyl ester oxalate (1:1)RefChem:333090DTXCID901526231-[2-({[2-(Ethoxymethyl)phenyl]carbamoyl}oxy)ethyl]azepan-1-ium hydrogen ethanedioate
Database identifiers
- CAS
80171-81-9- PubChem CID
- 54521
- DTXSID
DTXSID90230132
Properties
Computed structural properties
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 408
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Related reactions
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Compound notes
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