5-[(3-Methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
Basic information
- CAS
1016691-89-6- Standard SMILES
COc1cccc(Cc2nnc(N)o2)c1- InChIKey
MBKLGXNCDWAEGT-UHFFFAOYSA-N- Molecular formula
- C10H11N3O2
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.0851266
Names & identifiers
- Preferred name
- 5-[(3-Methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
- IUPAC
- 5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
- English name
- 1,3,4-Oxadiazol-2-amine, 5-[(3-methoxyphenyl)methyl]-
- Molecular formula
- C10
- Molecular weight
- 205.21
Names & synonyms
1016691-89-65-[(3-METHOXYPHENYL)METHYL]-1,3,4-OXADIAZOL-2-AMINE5-(3-methoxybenzyl)-1,3,4-oxadiazol-2-amineRQB69189AKOS000157412WS-03115D85628EN300-194554Z2852339481,3,4-Oxadiazol-2-amine, 5-[(3-methoxyphenyl)methyl]-
Database identifiers
- CAS
1016691-89-6- PubChem CID
- 20115976
- EC Number
- 186-405-4
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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