1,2,4-Oxadiazol-5-amine, 3-phenyl-
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Basic information
- CAS
3663-37-4- Standard SMILES
Nc1nc(-c2ccccc2)no1- InChIKey
DZHVJUCGKWKRTO-UHFFFAOYSA-N- Molecular formula
- C8H7N3O
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.05891186
Names & identifiers
- Preferred name
- 1,2,4-Oxadiazol-5-amine, 3-phenyl-
- IUPAC
- 3-phenyl-1,2,4-oxadiazol-5-amine
- English name
- 5-amino-3-phenyl-1,2,4-oxadiazole
- Molecular formula
- C8H7N3O
- Molecular weight
- 161.16
Names & synonyms
3-Phenyl-1,2,4-oxadiazol-5-amine5-Amino-3-phenyl-1,2,4-oxadiazole1,2,4-Oxadiazol-5-amine, 3-phenyl-FYD2ZT7XL9EINECS 222-918-2AI3-61762DZHVJUCGKWKRTO-UHFFFAOYSA-DTXSID30190100(3-PHENYL-(1,2,4)OXADIAZOL-5-YL)AMINERefChem:196686DTXCID00112591222-918-2
Show more names
3-Phenyl-[1,2,4]oxadiazol-5-ylamine
InChI=1/C8H7N3O/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)3663-37-4MFCD005128433-phenyl-1,2,4-oxadiazol-5-ylamine3-phenyl-1,2,4-oxadiazole-5-ylamine1,2,4-Oxadiazol-5-amine,3-phenyl-1,2,4-Oxadiazole, 5-amino-3-phenyl-UNII-FYD2ZT7XL9
Database identifiers
- CAS
3663-37-4- PubChem CID
- 77230
- DTXSID
DTXSID30190100- ChEMBL
CHEMBL5816883- UNII
- FYD2ZT7XL9
- EC Number
- 222-918-2
- Nikkaji
- J108.683I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- CAS DataBase Reference
- 3663 · 3663-37-4
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 ZT7XL9 · FYD2ZT7XL9
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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)
Aggregated GHS information provided per 2 reports by companies from 2 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
- H319-H302-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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