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(Q97463797)
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English
3-(piperidin-2-yl)pyridine
pair of isomeric compounds
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Statements
instance of
group of stereoisomers
0 references
subclass of
anabasine-like alkaloid
2 references
inferred from
anabasine-like alkaloid
based on heuristic
inferred from SMILES
mass
162.115698448
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₄N₂
0 references
canonical SMILES
N=1C=CC=C(C1)C2NCCCC2
0 references
melting point
9.0
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
found in taxon
Nicotiana
1 reference
stated in
The alkaloid contents of sixty Nicotiana species
Nicotiana tabacum
1 reference
stated in
Enantiomeric analysis of anatabine, nornicotine and anabasine in commercial tobacco by multi-dimensional gas chromatography and mass spectrometry
Anabasis aphylla
2 references
stated in
Anabasine hydrochloride — A new antismoking agent
stated in
A new method for isolating the alkaloids of Anabasis aphylla
Identifiers
InChI
InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2
0 references
InChIKey
MTXSIJUGVMTTMU-UHFFFAOYSA-N
1 reference
stated in
ChEBI release 2020-09-01
CAS Registry Number
13078-04-1
2 references
stated in
SciFinder
retrieved
25 October 2015
InChIKey
MTXSIJUGVMTTMU-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=13078-04-1
ChemSpider ID
21106257
1 reference
imported from Wikimedia project
English Wikipedia
PubChem CID
2181
1 reference
matched by identifier from
InChIKey
InChIKey
MTXSIJUGVMTTMU-UHFFFAOYSA-N
ChEBI ID
28986
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2
SureChEMBL ID
SCHEMBL117530
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MTXSIJUGVMTTMU-UHFFFAOYSA-N
UniChem compound ID
220485
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Washington_State_Univ-BML80740
0 references
MSBNK-Washington_State_Univ-BML80742
0 references
NMRShiftDB structure ID
10024561
1 reference
matched by identifier from
InChIKey
InChIKey
MTXSIJUGVMTTMU-UHFFFAOYSA-N
DSSTox substance ID
DTXSID50859409
1 reference
matched by identifier from
InChIKey
InChIKey
MTXSIJUGVMTTMU-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0004350
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MTXSIJUGVMTTMU-UHFFFAOYSA-N
Probes And Drugs ID
PD063333
0 references
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