1,2,4,5-Tetrazine-3,6-diamine
Basic information
- CAS
19617-90-4- Standard SMILES
Nc1nnc(N)nn1- InChIKey
JOYXTMYVRNWHNJ-UHFFFAOYSA-N- Molecular formula
- C2H4N6
- Average molar mass
- 112.09 g/mol
- Monoisotopic mass
- 112.04974415
Overview
1,2,4,5-Tetrazine-3,6-diamine is a tetrazine.
Names & identifiers
- Preferred name
- 1,2,4,5-Tetrazine-3,6-diamine
- IUPAC
- 1,2,4,5-tetrazine-3,6-diamine
- English name
- 1,2,4,5-Tetrazine-3,6-diamine
- Molecular formula
- C2H4N6
- Molecular weight
- 112.09
Names & synonyms
1,2,4,5-Tetrazine-3,6-diamine19617-90-4DTXSID80300631RefChem:71476DTXCID90251766893-819-5JOYXTMYVRNWHNJ-UHFFFAOYSA-N3,6-diamino-1,2,4,5-tetrazine1,2,4,5-Tetraazine-3,6-diamineMFCD00506758NSC137937C2H4N6
Show more names
SCHEMBL1300603CHEBI:151037SBB018972STK7929923,6-diamino-1,2,4,5,-tetrazineAKOS001016812AT38330NSC-137937
Database identifiers
- CAS
19617-90-4- PubChem CID
- 283379
- DTXSID
DTXSID80300631- ChEBI
CHEBI:151037- EC Number
- 893-819-5
- Nikkaji
- J379.252H
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 54.9
Physicochemical properties
- InChI
- InChI=1S/C2H4N6/c3-1-5-7-2(4)8-6-1/h(H2,3,5,6)(H2,4,7,8)
- InChIKey
- JOYXTMYVRNWHNJ-UHFFFAOYSA-N
- SMILES
- N1C(N)=NN=C(N)N=1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses1,2,4,5-Tetrazine-3,6-diamine is used as a monomer for the synthesis of COF materials.
Additional notes
DefinitionChEBI: 1,2,4,5-Tetrazine-3,6-diamine is a tetrazine.
Suppliers
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Related reactions
1 records
Compound notes
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