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English
N-Acetylcaprolactam
chemical compound
1-Acetylhexahydro-2H-azepin-2-one
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
155.094628656
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₁₃NO₂
0 references
canonical SMILES
CC(=O)N1CCCCCC1=O
0 references
Identifiers
InChI
InChI=1S/C8H13NO2/c1-7(10)9-6-4-2-3-5-8(9)11/h2-6H2,1H3
0 references
InChIKey
QISSLHPKTCLLDL-UHFFFAOYSA-N
0 references
CAS Registry Number
1888-91-1
1 reference
InChIKey
QISSLHPKTCLLDL-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=1888-91-1
PubChem CID
15904
1 reference
matched by identifier from
InChIKey
InChIKey
QISSLHPKTCLLDL-UHFFFAOYSA-N
ChEBI ID
182373
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C8H13NO2/c1-7(10)9-6-4-2-3-5-8(9)11/h2-6H2,1H3
SureChEMBL ID
SCHEMBL18566
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QISSLHPKTCLLDL-UHFFFAOYSA-N
UniChem compound ID
19040
1 reference
stated in
UniChem
NMRShiftDB structure ID
20037344
1 reference
matched by identifier from
InChIKey
InChIKey
QISSLHPKTCLLDL-UHFFFAOYSA-N
DSSTox substance ID
DTXSID1062041
1 reference
matched by identifier from
InChIKey
InChIKey
QISSLHPKTCLLDL-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID4035964
0 references
NSC number
522408
0 references
EC number
217-565-6
0 references
ECHA Substance Infocard ID
100.015.969
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.015.969
retrieved
29 December 2019
title
N-acetylhexanelactam
(English)
quotation
CAS no.: 1888-91-1
(English)
UNII
171CCE77J8
1 reference
matched by identifier from
InChIKey
InChIKey
QISSLHPKTCLLDL-UHFFFAOYSA-N
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