5'-Amino-2',4'-dimethylacetophenone
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Basic information
- CAS
13621-22-2- Standard SMILES
CC(=O)c1cc(N)c(C)cc1C- InChIKey
OZCJSMHHEABGGV-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- 5'-Amino-2',4'-dimethylacetophenone
- IUPAC
- 1-(5-amino-2,4-dimethylphenyl)ethanone
- English name
- 5'-AMINO-2',4'-DIMETHYLACETOPHENONE
- Molecular formula
- C10H13NO
- Molecular weight
- 0
Names & synonyms
13621-22-25'-AMINO-2',4'-DIMETHYLACETOPHENONERefChem:527446621-086-11-(5-amino-2,4-dimethylphenyl)ethanoneEthanone,1-(5-amino-2,4-dimethylphenyl)-6670-71-95/'-AMINO-2/',4/'-DIMETHYLACETOPHENONE1-(5-amino-2,4-dimethylphenyl)ethan-1-oneDTXSID20985269TAA05850AKOS024324391
Show more names
AE-562/43458993
Database identifiers
- CAS
13621-22-2、6670-71-9- PubChem CID
- 5205076
- DTXSID
DTXSID20985269- EC Number
- 621-086-1
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 179
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 39 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. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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