2-((Dimethylamino)methyl)-2-methyl-1-phenyl-1-propanone
Basic information
- CAS
15451-29-3- Standard SMILES
CN(C)CC(C)(C)C(=O)c1ccccc1- InChIKey
WKJYCZMXCFRIEO-UHFFFAOYSA-N- Molecular formula
- C13H19NO
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 205.14666423
Names & identifiers
- Preferred name
- 2-((Dimethylamino)methyl)-2-methyl-1-phenyl-1-propanone
- IUPAC
- 3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one
- English name
- 3-(Dimethylamino)-2,2-dimethyl-1-phenyl-1-propanone
- Molecular formula
- C13H19NO
- Molecular weight
- 205.3
Names & synonyms
15451-29-32-[(Dimethylamino)methyl]-2-methyl-1-phenyl-1-propanone2-((Dimethylamino)methyl)-2-methyl-1-phenyl-1-propanoneRefChem:10605743-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-onedimethylaminopivalophenonePropiophenone, 2,2-dimethyl-3-(dimethylamino)-83LLR55ETPBRN 29384512,2-Dimethyl-3-(dimethylamino)-propiophenonePropiophenone, 3-dimethylamino-2,2-dimethyl-3-(Dimethylamino)-2,2-dimethyl-1-phenyl-1-propanone
Show more names
1-Propanone, 2-[(dimethylamino)methyl]-2-methyl-1-phenyl-
starbld0014501UNII-83LLR55ETP3-14-00-00178 (Beilstein Handbook Reference)SCHEMBL20545574DTXSID90165652AKOS0124978112,2-Dimethyl-3-(dimethylamino)propiophenone1-Dimethylamino-2-dimethyl-3-phenylpropan-3-one
Database identifiers
- CAS
15451-29-3- PubChem CID
- 84922
- DTXSID
DTXSID90165652- UNII
- 83LLR55ETP
- Nikkaji
- J51.117J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Boiling point
- 95 · 95-98 °C(Press: 3 Torr)
- Density
- 0.973 · 0.973±0.06 g/cm3(Predicted)
- pka
- 8.65 · 8.65±0.28(Predicted)
- FDA UNII
- 83 LLR55ETP · 83LLR55ETP
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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