3-(4-Methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine
Basic information
- CAS
51891-99-7- Standard SMILES
Cc1ccc(N2COc3ccccc3C2)cc1- InChIKey
IISKPZHYLUEHSJ-UHFFFAOYSA-N- Molecular formula
- C15H15NO
- Average molar mass
- 225.28 g/mol
- Monoisotopic mass
- 225.1153641
Names & identifiers
- Preferred name
- 3-(4-Methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine
- IUPAC
- 3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine
Names & synonyms
SCHEMBL121627553-(4-METHYLPHENYL)-3,4-DIHYDRO-2H-1,3-BENZOXAZINEAKOS0244063823-(p-tolyl)-2,4-dihydro-1,3-benzoxazine3-(p-tolyl)-3,4-dihydro-2h-benzo[e][1,3]oxazine
Database identifiers
- CAS
51891-99-7- PubChem CID
- 4337747
- EC Number
- 119-487-7
- Nikkaji
- J485.779H
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 247
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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