Cas no 6297-21-8 ( )
structure
Product Name:
CAS No:6297-21-8
MF:C7H14ClNO2
MW:179.644561290741
CID:958423
PubChem ID:54599954
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4,5-dimethylpyrrolidine-2-carboxylic acid,hydrochloride
- NSC17320
- NSC-17320
- 6297-21-8
- DTXSID60712879
- 4,5-Dimethylproline--hydrogen chloride (1/1)
- NSC 17320
- 4,5-dimethylpyrrolidine-2-carboxylic acid;hydrochloride
-
-
- Inchi： 1S/C7H13NO2.ClH/c1-4-3-6(7(9)10)8-5(4)2;/h4-6,8H,3H2,1-2H3,(H,9,10);1H
- InChI Key： PINHAEIOOJLFEL-UHFFFAOYSA-N
- SMILES： Cl.OC(C1CC(C)C(C)N1)=O
Computed Properties
- Exact Mass: 143.09469
- Monoisotopic Mass: 178.063481
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 147
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 49.3
Experimental Properties
- Density: 1.045
- Boiling Point: 253.5°C at 760 mmHg
- Flash Point: 107.1°C
- Refractive Index: 1.457
- PSA: 49.33
- LogP: 1.58830
Related Literature
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
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
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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