1H,2H,3H,4H-pyrido(3,4-b)pyrazine
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Basic information
- CAS
35808-41-4- Standard SMILES
c1cc2c(cn1)NCCN2- InChIKey
BCLNCKWTUZQTHS-UHFFFAOYSA-N- Molecular formula
- C7H9N3
- Average molar mass
- 135.17 g/mol
- Monoisotopic mass
- 135.07964729
Names & identifiers
- Preferred name
- 1H,2H,3H,4H-pyrido(3,4-b)pyrazine
- IUPAC
- 1,2,3,4-tetrahydropyrido[3,4-b]pyrazine
- English name
- 1,2,3,4-tetrahydropyrido[3,4-b]pyrazine
- Molecular formula
- C7H9N3
- Molecular weight
- 135.17
Names & synonyms
1H,2H,3H,4H-pyrido[3,4-b]pyrazine1H,2H,3H,4H-pyrido(3,4-b)pyrazineRefChem:437695872-870-71,2,3,4-Tetrahydropyrido[3,4-b]pyrazine35808-41-4MFCD13193470SCHEMBL1966927SCHEMBL7490282SCHEMBL7490287SCHEMBL7490290DTXSID00591044
Show more names
1,2,3,4-Tetrahydopyridino[3,4-b]pyrazinePyrido[3,4-b]pyrazine, 1,2,3,4-tetrahydro-
BCLNCKWTUZQTHS-UHFFFAOYSA-NKBA80841AKOS006358235AB89744CCG-322766DB-0869321,2,3,4-tetrahydro-pyrido[3,4-b]pyrazineCS-0307954
Database identifiers
- CAS
35808-41-4- PubChem CID
- 17801437
- DTXSID
DTXSID00591044- EC Number
- 872-870-7
- Nikkaji
- J2.432.870H
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 37 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 115
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H315-H302-H319-H335-H332
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P
- HS Code
- 2933998090 · 2933998090
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H312-H315-H302-H319-H335-H332
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses1,2,3,4-Tetrahydropyrido[3,4-b]pyrazine is used in a study of aminopyridines and their pharmacokinetics, side effects, and antidote effect on botulinum neurotoxin intoxication. It is also used in a continuous flow strategy for preparation and elaboration of semi-saturated heterobicyclic fragments for fragment-based drug discovery (FBDD) programs.
Suppliers
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Related reactions
1 records
Compound notes
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