Basic information
- CAS
704-56-3- Standard SMILES
Nc1nnc(-c2ccncc2)o1- InChIKey
JQGJTYPZTLAQIC-UHFFFAOYSA-N- Molecular formula
- C7H6N4O
- Average molar mass
- 162.15 g/mol
- Monoisotopic mass
- 162.05416083
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazole, 2-amino-5-(4-pyridyl)-
- IUPAC
- 5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
- English name
- 5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
- Molecular formula
- C7H6N4O
- Molecular weight
- 162.15
Names & synonyms
704-56-35-(PYRIDIN-4-YL)-1,3,4-OXADIAZOL-2-AMINE1,3,4-OXADIAZOLE, 2-AMINO-5-(4-PYRIDYL)-BRN 03911562-Amino-5-(4-pyridyl)-1,3,4-oxadiazoleDTXSID10220671RefChem:412378DTXCID40143162843-842-15-pyridin-4-yl-1,3,4-oxadiazol-2-amineMFCD01249681F2182-0117
Show more names
[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]amine
1,3,4-oxadiazol-2-amine, 5-(4-pyridinyl)-, hydrobromide1,3,4-Oxadiazol-2-amine, 5-(4-pyridinyl)-5-(4-Pyridyl)-1,3,4-oxadiazol-2-amine5-(4-pyridinyl)-1,3,4-oxadiazol-2-ylamineSCHEMBL2766462SMSSF-0018009ALBB-012404BBL029228
Database identifiers
- CAS
704-56-3- PubChem CID
- 12804
- DTXSID
DTXSID10220671- EC Number
- 843-842-1
- Nikkaji
- J42.564H
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Melting point
- 262 °C · 262 °C (decomp)
- Boiling point
- 384.9 · 384.9±44.0 °C(Predicted)
- Density
- 1.357 · 1.357±0.06 g/cm3(Predicted)
- pka
- 1.28 · 1.28±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H302-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
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, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H302-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers7 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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