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(Q82006610)
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English
1,3-propanediaminium, N,N'-bis(3-chloro-2-hydroxypropyl)-2-hydroxy-N,N,N',N'-tetramethyl-, dichloride
chemical compound
1,3-Propanediaminium, N1,N3-bis(3-chloro-2-hydroxypropyl)-2-hydroxy-N1,N1,N3,N3-tetramethyl-, chloride (1:2)
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
402.10105353999995
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₃₀Cl₄N₂O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C[N+](C)(CC(O)CCl)CC(O)C[N+](C)(C)CC(O)CCl.[Cl-].[Cl-]
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C13H30Cl2N2O3.2ClH/c1-16(2,7-11(18)5-14)9-13(20)10-17(3,4)8-12(19)6-15;;/h11-13,18-20H,5-10H2,1-4H3;2*1H/q+2;;/p-2
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InChIKey
GCBHIWKOWOZKPT-UHFFFAOYSA-L
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CAS Registry Number
115558-46-8
reason for deprecated rank
deprecated identifier value
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34348-46-4
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PubChem CID
118149
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UniChem compound ID
61518132
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60276209
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DTXSID80889719
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DSSTOX compound identifier
DTXCID50227543
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DTXCID301028971
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