Basic information
- CAS
51949-05-4- Standard SMILES
CN(C)CCC(=O)c1cccc(Br)c1- InChIKey
CWQXTHKQDGGMNN-UHFFFAOYSA-N- Molecular formula
- C11H14BrNO
- Average molar mass
- 256.14 g/mol
- Monoisotopic mass
- 255.02588
Names & identifiers
- Preferred name
- 1-(3-Bromophenyl)-3-(dimethylamino)propan-1-one
- IUPAC
- 1-(3-bromophenyl)-3-(dimethylamino)propan-1-one
Names & synonyms
1-(3-bromophenyl)-3-(dimethylamino)propan-1-oneRefChem:423441973-290-851949-05-41-Propanone, 1-(3-bromophenyl)-3-(dimethylamino)-STK093370Oprea1_242159SCHEMBL3870786CHEMBL1625206DTXSID70358368AKOS005264566EN300-8557198
Show more names
AG-205/15425513
Database identifiers
- CAS
51949-05-4- PubChem CID
- 890211
- DTXSID
DTXSID70358368- ChEMBL
CHEMBL1625206- EC Number
- 973-290-8
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 194
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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