Basic information
- CAS
91-18-9- Standard SMILES
c1cnc2ncncc2n1- InChIKey
CPNGPNLZQNNVQM-UHFFFAOYSA-N- Molecular formula
- C6H4N4
- Average molar mass
- 132.12 g/mol
- Monoisotopic mass
- 132.04359613
Overview
Pteridine is a member of pteridines, a mancude organic heterobicyclic parent, an azaarene and an ortho-fused heteroarene.
Names & identifiers
- Preferred name
- Pteridine
- IUPAC
- pteridine
- English name
- Pteridine (6CI,7CI,8CI,9CI)
- Molecular formula
- C6H4N4
- Molecular weight
- 132.12
Names & synonyms
PTERIDINE91-18-9Azinepurine1,3,5,8-TetraazanaphthalenePyrimido(4,5-b)pyrazinePyrazino(2,3-d)pyrimidinePyrazino[2,3-d]pyrimidine6EZF26XQ81Pyrimido[4,5-b]pyrazineNSC-268562CHEBI:27601DTXSID60238347
Show more names
Inchi=1/C6H4N4/C1-2-9-6-5(8-1)3-7-4-10-6/H1-4
PyrazinopyrimidineRefChem:389244DTXCID80160838PteridinesPteridine (6CI,7CI,8CI,9CI)UNII-6EZF26XQ81Pteridenepteridine-ring
Database identifiers
- CAS
91-18-9- PubChem CID
- 1043
- DTXSID
DTXSID60238347- ChEBI
CHEBI:27601- UNII
- 6EZF26XQ81
- Nikkaji
- J100.476J
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 138 · 138-138.5°
- Boiling point
- 234.02 °C · 234.02°C (rough estimate)
- Density
- 1.3363 · 1.3363 (rough estimate)
- refractive index
- 1.7 · 1.7000 (estimate)
- storage temp.
- Store at room temperature
- pka
- 4.05 · 4.05(at 20℃)
- Appearance
- Off-white to light yellow Solid
- Water Solubility
- 122 g/L · 122g/L(22.5 ºC)
- FDA UNII
- 6 EZF26XQ81 · 6EZF26XQ81
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers9 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
上海宣月科技有限公司15216675652 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 · [email protected]
上海依赫生物科技有限公司021-68882955 17721395025 · [email protected]
兰州康寓信生物科技有限公司0943-8293106 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Additional notes
DefinitionChEBI: Pteridine is a mancude organic heterobicyclic parent, an azaarene, an ortho-fused heteroarene and a member of pteridines.
Related reactions
6 records
Compound notes
Loading…