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(Q6953369)
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English
NE-100
chemical compound
N-(4-methoxy-3-phenethoxyphenethyl)-N-propylpropan-1-amine
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
chemical structure
NE-100.svg
183 × 75; 11 KB
0 references
mass
355.5145
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₃NO₂
0 references
canonical SMILES
CCCN(CCC)CCC1=CC(=C(C=C1)OC)OCCC2=CC=CC=C2
0 references
Identifiers
InChI
InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3
1 reference
reference URL
https://pubchem.ncbi.nlm.nih.gov/compound/9841596
retrieved
April 2018
InChIKey
YBLIQJGXRLZBCZ-UHFFFAOYSA-N
0 references
CAS Registry Number
149860-29-7
2 references
imported from Wikimedia project
English Wikipedia
stated in
CAS Common Chemistry
retrieved
31 December 2022
reference URL
https://commonchemistry.cas.org/detail?cas_rn=149860-29-7
InChIKey
YBLIQJGXRLZBCZ-UHFFFAOYSA-N
based on heuristic
InChIKey match
PubChem CID
9841596
1 reference
imported from Wikimedia project
English Wikipedia
UniChem compound ID
257636
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0255494
1 reference
based on heuristic
inferred from InChIKey
UNII
RN9I7K5RVN
0 references
Probes And Drugs ID
PD049636
0 references
Freebase ID
/m/0k0tmm3
0 references
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Wikipedia
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enwiki
NE-100
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