3-(Dimethylamino)-1-(4-methoxyphenyl)propan-1-one
Basic information
- CAS
2138-33-2- Standard SMILES
COc1ccc(C(=O)CCN(C)C)cc1- InChIKey
OFNZCNMFQSONGW-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- 3-(Dimethylamino)-1-(4-methoxyphenyl)propan-1-one
- IUPAC
- 3-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one
- English name
- 3-(DiMethylaMino)-1-(4-Methoxyphenyl)propan-1-one
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
3-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one2138-33-2MAC168425MFCD004541253-(dimethylamino)-1-(4-methoxyphenyl)-1-Propanone1-Propanone, 3-(dimethylamino)-1-(4-methoxyphenyl)-3-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one hydrochlorideNSC692750Oprea1_543419CBDivE_002232SCHEMBL9193922CHEMBL3545729
Show more names
MAC168425 (MAC 168425)
DTXSID601382263ALBB-012479AC5566SBB072747STK001036AKOS004912657SB781413-dimethylamino-4'-methoxypropiophenone
Database identifiers
- CAS
2138-33-2- PubChem CID
- 78911
- DTXSID
DTXSID601382263- ChEMBL
CHEMBL3545729- EC Number
- 104-547-7
- Nikkaji
- J503.305E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Melting point
- 181 °C · 181 °C
- Boiling point
- 318.2 · 318.2±22.0 °C(Predicted)
- Density
- 1.027 · 1.027±0.06 g/cm3(Predicted)
- pka
- 8.71 · 8.71±0.28(Predicted)
- HS Code
- 2922500090 · 2922500090
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, 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 Sens. 1 (100%)
Safety data
- hs_code
- 2922500090
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…