m-Acetanisidide, N-(2-(diethylamino)ethyl)-2-(p-ethoxyphenoxy)-, monopicrate
Basic information
- CAS
27471-65-4- Standard SMILES
CCOc1ccc(OCC(=O)N(CC[NH+](CC)CC)c2cccc(OC)c2)cc1.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1- InChIKey
PDCBPPMYEMZWRM-UHFFFAOYSA-N- Molecular formula
- C29H35N5O11
- Average molar mass
- 629.6 g/mol
- Monoisotopic mass
- 629.23330695
Names & identifiers
- Preferred name
- m-Acetanisidide, N-(2-(diethylamino)ethyl)-2-(p-ethoxyphenoxy)-, monopicrate
- IUPAC
- 2-(N-[2-(4-ethoxyphenoxy)acetyl]-3-methoxyanilino)ethyl-diethylazanium;2,4,6-trinitrophenolate
Names & synonyms
27471-65-4m-ACETANISIDIDE, N-(2-(DIETHYLAMINO)ETHYL)-2-(p-ETHOXYPHENOXY)-, MONOPICRATEN-(2-(Diethylamino)ethyl)-2-(p-ethoxyphenoxy)-m-acetanisidide picrateDTXSID90181897RefChem:351471DTXCID301043882-(N-[2-(4-ethoxyphenoxy)acetyl]-3-methoxyanilino)ethyl-diethylazanium;2,4,6-trinitrophenolate2-[2-(4-Ethoxyphenoxy)-N-(3-methoxyphenyl)acetamido]-N,N-diethylethan-1-aminium 2,4,6-trinitrophenolate
Database identifiers
- CAS
27471-65-4- PubChem CID
- 33905
- DTXSID
DTXSID90181897
Properties
Computed structural properties
- Topological polar surface area
- 213 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 742
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Related reactions
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Compound notes
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