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(Q81994690)
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English
1-Propanesulfonic acid, 3-[ethyl(3-methylphenyl)amino]-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
257.108564468
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₉NO₃S
0 references
canonical SMILES
CCN(CCCS(=O)(=O)O)C1=CC=CC(=C1)C
0 references
Identifiers
InChI
InChI=1S/C12H19NO3S/c1-3-13(8-5-9-17(14,15)16)12-7-4-6-11(2)10-12/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,14,15,16)
0 references
InChIKey
IBSUMVZKDLDAEK-UHFFFAOYSA-N
0 references
CAS Registry Number
36783-03-6
1 reference
InChIKey
IBSUMVZKDLDAEK-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=36783-03-6
PubChem CID
169814
1 reference
matched by identifier from
InChIKey
InChIKey
IBSUMVZKDLDAEK-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL186733
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IBSUMVZKDLDAEK-UHFFFAOYSA-N
UniChem compound ID
26804220
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID8067999
1 reference
matched by identifier from
InChIKey
InChIKey
IBSUMVZKDLDAEK-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID9039230
0 references
UNII
LUL37W82IY
1 reference
matched by identifier from
InChIKey
InChIKey
IBSUMVZKDLDAEK-UHFFFAOYSA-N
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