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(Q82004143)
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English
1-Butanaminium, 3-methyl-N,N,N-tris(3-methylbutyl)-
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
298.34682682809
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₄₄N⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)CC[N+](CCC(C)C)(CCC(C)C)CCC(C)C
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Identifiers
InChI
InChI=1S/C20H44N/c1-17(2)9-13-21(14-10-18(3)4,15-11-19(5)6)16-12-20(7)8/h17-20H,9-16H2,1-8H3/q+1
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InChIKey
VPYHKSUKMGPRIN-UHFFFAOYSA-N
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CAS Registry Number
37841-17-1
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PubChem CID
21542
1 reference
matched by identifier from
InChIKey
InChIKey
VPYHKSUKMGPRIN-UHFFFAOYSA-N
UniChem compound ID
8016007
1 reference
stated in
UniChem
NMRShiftDB structure ID
20207501
1 reference
matched by identifier from
InChIKey
InChIKey
VPYHKSUKMGPRIN-UHFFFAOYSA-N
DSSTox substance ID
DTXSID10274710
1 reference
matched by identifier from
InChIKey
InChIKey
VPYHKSUKMGPRIN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20201815
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