Basic information
- CAS
1039933-90-8- Standard SMILES
Nc1nnc(-c2ccc3c(c2)OCCO3)o1- InChIKey
OGKQGHXOQYDRAM-UHFFFAOYSA-N- Molecular formula
- C10H9N3O3
- Average molar mass
- 219.2 g/mol
- Monoisotopic mass
- 219.06439116
Names & identifiers
- Preferred name
- 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-amine
- IUPAC
- 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-amine
- English name
- 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-amine
- Molecular formula
- C10H9N3O3
- Molecular weight
- 219.2
Names & synonyms
1039933-90-85-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-amineDTXSID30651822RefChem:299294DTXCID90602572840-240-05-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1,3,4-oxadiazol-2-amineF2146-0072MLS004820099SMSSF-0017341PRB93390AKOS005208423
Show more names
1,3,4-Oxadiazol-2-amine, 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-
SMR003171444EN300-69427G22684F495467BRD-K05519962-001-01-3Z3618856585-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-ylamine
Database identifiers
- CAS
1039933-90-8- PubChem CID
- 28938024
- DTXSID
DTXSID30651822- EC Number
- 840-240-0
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 418.7 · 418.7±55.0 °C(Predicted)
- Density
- 1.412 · 1.412±0.06 g/cm3(Predicted)
- pka
- -1.36 · -1.36±0.13(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-P280-P302+P352-P321-P332+P313-P362-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)
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-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers6 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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