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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:86491 - spirit blue base
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ChEBI Name
spirit blue base
ChEBI ID
CHEBI:86491
Definition
An aromatic amime that is the base component of spirit blue dye (the hydrochloride salt).
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C37H29N3
Net Charge
0
Average Mass
515.64630
Monoisotopic Mass
515.23615
InChI
InChI=1S/C37H29N3/c1-
4-
10-
31(11-
5-
1)
38-
34-
22-
16-
28(17-
23-
34)
37(29-
18-
24-
35(25-
19-
29)
39-
32-
12-
6-
2-
7-
13-
32)
30-
20-
26-
36(27-
21-
30)
40-
33-
14-
8-
3-
9-
15-
33/h1-
27,38-
39H
InChIKey
MIIMIZNJMPQNKO-UHFFFAOYSA-N
SMILES
N(c1ccccc1)c1ccc(cc1)C(=C1C=CC(C=C1)=Nc1ccccc1)c1ccc(Nc2ccccc2)cc1
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Application
(s):
dye
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
spirit blue base (
CHEBI:86491
)
has role
dye (
CHEBI:37958
)
spirit blue base (
CHEBI:86491
)
is a
aromatic amine (
CHEBI:33860
)
spirit blue base (
CHEBI:86491
)
is a
imine (
CHEBI:24783
)
spirit blue base (
CHEBI:86491
)
is a
olefinic compound (
CHEBI:78840
)
spirit blue base (
CHEBI:86491
)
is a
secondary amino compound (
CHEBI:50995
)
spirit blue base (
CHEBI:86491
)
is conjugate base of
spirit blue(1+) (
CHEBI:86495
)
Incoming
spirit blue(1+) (
CHEBI:86495
)
is conjugate acid of
spirit blue base (
CHEBI:86491
)
IUPAC Name
N
,
N
'-
[{[4-
(phenylimino)cyclohexa-
2,5-
dien-
1-
ylidene]methylene}di(4,1-
phenylene)]dianiline
Registry Numbers
Types
Sources
22244-16-2
CAS Registry Number
ChemIDplus
2792073
Reaxys Registry Number
Reaxys
Last Modified
15 July 2015