Cas no 3563-49-3 (1-Pentanone,1-(4-methylphenyl)-2-(1-pyrrolidinyl)-)
3563-49-3 structure
Product Name:1-Pentanone,1-(4-methylphenyl)-2-(1-pyrrolidinyl)-
1-Pentanone,1-(4-methylphenyl)-2-(1-pyrrolidinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Pentanone,1-(4-methylphenyl)-2-(1-pyrrolidinyl)-
- 4'-Methyl-2-(1-pyrrolidinyl)valerophenone
- Pyrovalerone
- CHEBI:134998
- PYROVALERONE [MART.]
- Pirovalerona
- 1-(4-methylphenyl)-2-pyrrolidin-1-yl-pentan-1-one
- PYROVALERONE [MI]
- 1-Pentanone, 1-(4-methylphenyl)-2-(1-pyrrolidinyl)-
- CHEMBL201960
- UNII-VOU69C02JP
- Pyrovaleronum [INN-Latin]
- 3563-49-3
- 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one
- NS00017901
- Q410824
- SWUVZKWCOBGPTH-UHFFFAOYSA-N
- PYROVALERONE [WHO-DD]
- 1-P-TOLYL-1-OXO-2-PYRROLIDINO-N-PENTANE
- HY-U00296
- 4'-methyl-alpha-pyrrolidinovalerophenone
- VOU69C02JP
- CS-7265
- DEA No. 1485
- Pirovalerona [INN-Spanish]
- J8.659B
- 1-(4-methylphenyl)-2-(pyrrolidin-1-yl)pentan-1-one
- SCHEMBL164376
- Pyrovaleronum
- 1-(4-Methylphenyl)-2-(1-pyrrolidinyl)-1-pentanone #
- Pyrovalerone [INN]
- Valerophenone, 4'-methyl-2-(1-pyrrolidinyl)-
- DTXSID20863194
- BDBM50182555
-
- Inchi： 1S/C16H23NO/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3
- InChI Key： SWUVZKWCOBGPTH-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(C)=CC=1)C(CCC)N1CCCC1
Computed Properties
- Exact Mass: 245.17809
- Monoisotopic Mass: 245.177964357g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 262
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- Boiling Point: bp0.08 104°
- PSA: 20.31
1-Pentanone,1-(4-methylphenyl)-2-(1-pyrrolidinyl)- Related Literature
-
Khalid A. Alsenedi,Calum Morrison Anal. Methods 2017 9 2732
-
Senhan Xu,Ping Wu,Wei Zhang Org. Biomol. Chem. 2016 14 11389
-
Xueguo Chen,Ting Zhang Anal. Methods 2014 6 8291
-
Barbara Zdrazil,Eva Hellsberg,Michael Viereck,Gerhard F. Ecker Med. Chem. Commun. 2016 7 1819
-
Lewis A. T. Allen,Robert-Cristian Raclea,Philipp Natho,Philip J. Parsons Org. Biomol. Chem. 2021 19 498
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