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(Q81976511)
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Chloroallyl methenamine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
215.10580061208998
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₉H₁₆ClN₄⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cl/C=C\C[N+]12CN3CN(CN(C3)C1)C2
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C1N2CN3CN1C[N+](C2)(C3)C/C=C\Cl
0 references
Identifiers
InChI
InChI=1S/C9H16ClN4/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14/h1-2H,3-9H2/q+1/b2-1-
0 references
InChIKey
LDLCEGCJYSDJLX-UPHRSURJSA-N
0 references
CAS Registry Number
56060-15-2
0 references
PubChem CID
5846454
1 reference
matched by identifier from
InChIKey
InChIKey
LDLCEGCJYSDJLX-UPHRSURJSA-N
UniChem compound ID
14222795
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Athens_Univ-AU242301
1 reference
InChIKey
LDLCEGCJYSDJLX-UPHRSURJSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Athens_Univ-AU242303
1 reference
InChIKey
LDLCEGCJYSDJLX-UPHRSURJSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Athens_Univ-AU242306
1 reference
InChIKey
LDLCEGCJYSDJLX-UPHRSURJSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Athens_Univ-AU242302
1 reference
InChIKey
LDLCEGCJYSDJLX-UPHRSURJSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Athens_Univ-AU242304
1 reference
InChIKey
LDLCEGCJYSDJLX-UPHRSURJSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID1047992
1 reference
matched by identifier from
InChIKey
InChIKey
LDLCEGCJYSDJLX-UPHRSURJSA-N
DSSTOX compound identifier
DTXCID2027969
0 references
UNII
H4IHD3E11G
1 reference
matched by identifier from
InChIKey
InChIKey
LDLCEGCJYSDJLX-UPHRSURJSA-N
Probes And Drugs ID
PD063478
0 references
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