Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate sulfate

HCID 3084993
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Basic information

CAS
51919-80-3
Standard SMILES
CCOC(=O)c1cncn1C(C)c1ccccc1.O=S(=O)(O)O
InChIKey
YCUUCSZGTWIJDW-UHFFFAOYSA-N
Molecular formula
C14H18N2O6S
Average molar mass
342.37 g/mol
Monoisotopic mass
342.0885573

Names & identifiers

Preferred name
Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate sulfate
IUPAC
ethyl 3-(1-phenylethyl)imidazole-4-carboxylate;sulfuric acid

Names & synonyms

Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate sulfateSCHEMBL11323054DTXSID40966237YCUUCSZGTWIJDW-UHFFFAOYSA-N(-)-ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate sulfateSulfuric acid--ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate (1/1)

Database identifiers

CAS
51919-80-3
PubChem CID
3084993
DTXSID
DTXSID40966237

Properties

Computed structural propertiesFilling in

Topological polar surface area
127 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
23

Related reactions

2 records
New reaction record

Compound notes

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