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(Q82056883)
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English
phenethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
407.141884464
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₇Cl₂NO₂
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canonical SMILES
C1=CC=C(C=C1)CCOC(=O)CCCC2=CC=C(C=C2)N(CCCl)CCCl
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Identifiers
InChI
InChI=1S/C22H27Cl2NO2/c23-14-16-25(17-15-24)21-11-9-20(10-12-21)7-4-8-22(26)27-18-13-19-5-2-1-3-6-19/h1-3,5-6,9-12H,4,7-8,13-18H2
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InChIKey
KOUAMUDOBHPDIP-UHFFFAOYSA-N
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CAS Registry Number
77063-16-2
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PubChem CID
308361
1 reference
matched by identifier from
InChIKey
InChIKey
KOUAMUDOBHPDIP-UHFFFAOYSA-N
UniChem compound ID
51493601
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60308817
1 reference
matched by identifier from
InChIKey
InChIKey
KOUAMUDOBHPDIP-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30259943
0 references
NSC number
209853
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