2-(diethylamino)ethyl 4-isothiocyanatobenzoate
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2-(diethylamino)ethyl 4-isothiocyanatobenzoate
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CAS No:
129083-49-4
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Formula:
C14H18N2O2S
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Chemical Name:
2-(diethylamino)ethyl 4-isothiocyanatobenzoate
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Synonyms:
(3H)-PRIT;PRIT;procaine isothiocyanate;Procaine isothiocyanate;2-(Diethylamino)ethyl 4-isothiocyanatobenzoate;129083-49-4;PRIT;(3H)-Prit;DTXSID40156055;ZINC1666091;Benzoic acid, 4-isothiocyanato-, 2-(diethylamino)ethyl ester
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CAS No:
2-(diethylamino)ethyl 4-isothiocyanatobenzoate Basic Attributes
278.37 g/mol
278.10889899 g/mol
DTXSID40156055
Computed Properties
Molecular Weight:278.37
XLogP3:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:278.10889899
Monoisotopic Mass:278.10889899
Topological Polar Surface Area:74
Heavy Atom Count:19
Complexity:317
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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