Basic information
- CAS
1000931-30-5- Standard SMILES
Cc1ccc(-c2nc(CCN)co2)cc1- InChIKey
CPQIPXOEJSZOSQ-UHFFFAOYSA-N- Molecular formula
- C12H14N2O
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.11061307
Names & identifiers
- Preferred name
- 2-(2-(4-Methylphenyl)-1,3-oxazol-4-yl)ethan-1-amine
- IUPAC
- 2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanamine
Names & synonyms
2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethan-1-amine1000931-30-52-(2-(4-Methylphenyl)-1,3-oxazol-4-yl)ethan-1-amineRefChem:452976861-888-02-[2-(4-METHYLPHENYL)-1,3-OXAZOL-4-YL]ETHANAMINESCHEMBL14672185AKOS022359562EN300-62194Z360053686
Database identifiers
- CAS
1000931-30-5- PubChem CID
- 25324136
- EC Number
- 861-888-0
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 190
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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