Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:53003 - naphthalene-1,5-diamine
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
naphthalene-1,5-diamine
ChEBI ID
CHEBI:53003
Definition
A naphthalenediamine compound having amino substituents in the 1- and 5-positions.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
eleh
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C10H10N2
Net Charge
0
Average Mass
158.19980
Monoisotopic Mass
158.08440
InChI
InChI=1S/C10H10N2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H,11-12H2
InChIKey
KQSABULTKYLFEV-UHFFFAOYSA-N
SMILES
Nc1cccc2c(N)cccc12
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
)
Biological Role
(s):
carcinogenic agent
A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
naphthalene-1,5-diamine (
CHEBI:53003
)
has role
carcinogenic agent (
CHEBI:50903
)
naphthalene-1,5-diamine (
CHEBI:53003
)
is a
naphthalenediamine (
CHEBI:53009
)
IUPAC Name
naphthalene-1,5-diamine
Synonyms
Sources
1,5-diaminonaphthalene
SUBMITTER
1,5-Diaminonaphthalene
ChemIDplus
1,5-naphthalenediamine
SUBMITTER
1,5-Naphthalenediamine
ChemIDplus
1,5-Naphthylenediamine
ChemIDplus
Manual Xref
Database
C19463
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
2243-62-1
CAS Registry Number
ChemIDplus
2243-62-1
CAS Registry Number
NIST Chemistry WebBook
907947
Beilstein Registry Number
Beilstein
Last Modified
28 July 2014