Cas no 3936-62-7 ( )
structure
Product Name:
CAS No:3936-62-7
MF:C4H9ClN2O
MW:136.580059766769
CID:924495
PubChem ID:23190384
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1-methylpyrazolidin-3-one,hydrochloride
- NSC525500
- NSC-525500
- 1-Methylpyrazolidin-3-one--hydrogen chloride (1/1)
- DTXSID10631228
- 1-Methylpyrazolidin-3-one hydrochloride
- 3936-62-7
- N-methylpyrazolidinone hydrochloride
-
-
- Inchi： 1S/C4H8N2O.ClH/c1-6-3-2-4(7)5-6;/h2-3H2,1H3,(H,5,7);1H
- InChI Key： USSLVPVLSWWXRJ-UHFFFAOYSA-N
- SMILES： Cl.O=C1CCN(C)N1
Computed Properties
- Exact Mass: 100.06374
- Monoisotopic Mass: 136.0403406g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 91.7
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 32.3?2
Experimental Properties
- PSA: 32.34
- LogP: 0.42180
Related Literature
-
Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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