3-(Dimethylamino)-1-(naphthalen-2-yl)propan-1-one
Basic information
- CAS
2752-87-6- Standard SMILES
CN(C)CCC(=O)c1ccc2ccccc2c1- InChIKey
WZIOJYCFLAYASE-UHFFFAOYSA-N- Molecular formula
- C15H17NO
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.13101417
Names & identifiers
- Preferred name
- 3-(Dimethylamino)-1-(naphthalen-2-yl)propan-1-one
- IUPAC
- 3-(dimethylamino)-1-naphthalen-2-ylpropan-1-one
- English name
- 1-Propanone, 3-(dimethylamino)-1-(2-naphthalenyl)-
- Molecular formula
- C15H17NO
- Molecular weight
- 227.3
Names & synonyms
3-(Dimethylamino)-1-(naphthalen-2-yl)propan-1-one2752-87-6DTXSID20328233RefChem:275423DTXCID102793413-(dimethylamino)-1-naphthalen-2-ylpropan-1-one3-(dimethylamino)-1-(2-naphthyl)propan-1-one1-Propanone, 3-(dimethylamino)-1-(2-naphthalenyl)-CHEMBL541346Oprea1_462910SCHEMBL5463532Bedaquiline Fumarate Impurity 7
Show more names
β-NETA intermediateBedaquiline Impurity 18Bedaquiline Impurity 1 HCl3-(Dimethylamino)-2'-propionaphthone(S,Z，E)-4-(6-bromo-2-methoxyquinolin-3-yl)-N,N-dimethyl-3-(naphthalen-1-yl)-4-phenylbut-2-en-1-amine
CHEMBL1190671beta-Dimethylamino-2-propionaphthoneBDBM50421417AKOS015866689SB79757ST086955CS-0450379Propan-1-one, 3-dimethylamino-1-(2-naphthyl)-
Database identifiers
- CAS
2752-87-6- PubChem CID
- 408265
- DTXSID
DTXSID20328233- ChEMBL
CHEMBL1190671、CHEMBL541346- Nikkaji
- J843.838B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 368.7 · 368.7±25.0 °C(Predicted)
- Density
- 1.072 · 1.072±0.06 g/cm3(Predicted)
- pka
- 8.79 · 8.79±0.28(Predicted)
Chemistry & industry
Applications
Uses3-(Dimethylamino)-2''-propionaphthone, is a building block used in various chemical synthesis. It can be used in the synthesis of alpha-NETA, a fluorescent choactase inhibitor.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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