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English
4-Aminobenzyl cyanide
chemical compound
4-Aminophenylacetonitrile
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
132.068748256
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₈N₂
0 references
canonical SMILES
C1=CC(=CC=C1CC#N)N
0 references
melting point
44.0
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
Identifiers
InChI
InChI=1S/C8H8N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5,10H2
0 references
InChIKey
YCWRFIYBUQBHJI-UHFFFAOYSA-N
0 references
CAS Registry Number
3544-25-0
1 reference
InChIKey
YCWRFIYBUQBHJI-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=3544-25-0
PubChem CID
77000
1 reference
matched by identifier from
InChIKey
InChIKey
YCWRFIYBUQBHJI-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL141424
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YCWRFIYBUQBHJI-UHFFFAOYSA-N
UniChem compound ID
10537451
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP009536
0 references
NMRShiftDB structure ID
20044901
1 reference
matched by identifier from
InChIKey
InChIKey
YCWRFIYBUQBHJI-UHFFFAOYSA-N
DSSTox substance ID
DTXSID50188923
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
YCWRFIYBUQBHJI-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10111414
0 references
EC number
222-587-4
0 references
ECHA Substance Infocard ID
100.020.535
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.020.535
retrieved
29 December 2019
title
4-aminophenylacetonitrile
(English)
quotation
CAS no.: 3544-25-0
(English)
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