3-(Dimethylamino)-1-(3-nitrophenyl)propan-1-one hydrochloride
Basic information
- CAS
63352-94-3- Standard SMILES
CN(C)CCC(=O)c1cccc([N+](=O)[O-])c1.Cl- InChIKey
ZFRBPOZPCGDGOU-UHFFFAOYSA-N- Molecular formula
- C11H15ClN2O3
- Average molar mass
- 258.7 g/mol
- Monoisotopic mass
- 258.07712
Names & identifiers
- Preferred name
- 3-(Dimethylamino)-1-(3-nitrophenyl)propan-1-one hydrochloride
- IUPAC
- 3-(dimethylamino)-1-(3-nitrophenyl)propan-1-one;hydrochloride
- English name
- 3-(Dimethylamino)-1-(3-nitrophenyl)propan-1-one hydrochloride
- Molecular formula
- C11H15ClN2O3
- Molecular weight
- 258.7014
Names & synonyms
63352-94-33-(dimethylamino)-1-(3-nitrophenyl)propan-1-one hydrochlorideMFCD012197543-(dimethylamino)-1-(3-nitrophenyl)propan-1-one;hydrochlorideCHEMBL5374833-(Dimethylamino)-1-(3-nitrophenyl)-1-propanone HydrochlorideCambridge id 5925411beta-Dimethylamino-m-nitropropiophenone, hydrochlorideDTXSID50979499TQP1271NSC130794AKOS025405098
Show more names
3-(Dimethylamino)-1-(3-nitrophenyl)propan-1-one hydrochloride（WS205150）
JS-3030NSC-130794SB81608SY372138BIM-0037639.P001W18814SR-01000223496SR-01000223496-1
Database identifiers
- CAS
63352-94-3- PubChem CID
- 458984
- DTXSID
DTXSID50979499- ChEMBL
CHEMBL537483
Properties
Computed structural properties
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 209 °C · 209 °C (decomp)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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