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English
Phosphonic acid, [(2S)-2-amino-2-(4-methylphenyl)ethyl]-, diethyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
271.133730194
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
Phosphonic acid, [(2R)-2-amino-2-(4-methylphenyl)ethyl]-, diethyl ester
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₂₂NO₃P
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canonical SMILES
CCOP(=O)(CC(N)c1ccc(C)cc1)OCC
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCOP(=O)(C[C@H](C1=CC=C(C=C1)C)N)OCC
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Identifiers
InChI
InChI=1S/C13H22NO3P/c1-4-16-18(15,17-5-2)10-13(14)12-8-6-11(3)7-9-12/h6-9,13H,4-5,10,14H2,1-3H3/t13-/m1/s1
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InChIKey
KSHSTHMHRGQQQV-CYBMUJFWSA-N
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CAS Registry Number
827320-94-5
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PubChem CID
11334746
1 reference
matched by identifier from
InChIKey
InChIKey
KSHSTHMHRGQQQV-CYBMUJFWSA-N
UniChem compound ID
33289756
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50462755
1 reference
matched by identifier from
InChIKey
InChIKey
KSHSTHMHRGQQQV-CYBMUJFWSA-N
DSSTOX compound identifier
DTXCID40413574
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