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(Q72500951)
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English
2-Phenoxyaniline
chemical compound
2-Aminophenyl phenyl ether
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
185.084063972
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₁NO
0 references
canonical SMILES
C1=CC=C(C=C1)OC2=CC=CC=C2N
0 references
melting point
47.0
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
Identifiers
InChI
InChI=1S/C12H11NO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H,13H2
0 references
InChIKey
NMFFUUFPJJOWHK-UHFFFAOYSA-N
0 references
CAS Registry Number
2688-84-8
1 reference
InChIKey
NMFFUUFPJJOWHK-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=2688-84-8
PubChem CID
75899
1 reference
matched by identifier from
InChIKey
InChIKey
NMFFUUFPJJOWHK-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL5723
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NMFFUUFPJJOWHK-UHFFFAOYSA-N
UniChem compound ID
251112
1 reference
stated in
UniChem
NMRShiftDB structure ID
20200863
1 reference
matched by identifier from
InChIKey
InChIKey
NMFFUUFPJJOWHK-UHFFFAOYSA-N
DSSTox substance ID
DTXSID6062593
1 reference
matched by identifier from
InChIKey
InChIKey
NMFFUUFPJJOWHK-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID9037589
0 references
NSC number
39655
0 references
EC number
220-254-8
0 references
ECHA Substance Infocard ID
100.018.413
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.018.413
retrieved
29 December 2019
title
2-phenoxyaniline
(English)
quotation
CAS no.: 2688-84-8
(English)
UNII
T96D49XD9H
1 reference
matched by identifier from
InChIKey
InChIKey
NMFFUUFPJJOWHK-UHFFFAOYSA-N
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