Cas no 61091-98-3 (Alanine, 3,3-dichloro-)
Alanine, 3,3-dichloro- structure
Product Name:Alanine, 3,3-dichloro-
CAS No:61091-98-3
MF:C3H5Cl2NO2
MW:157.983299016953
CID:492258
PubChem ID:53918290
Update Time:2025-04-19
Alanine, 3,3-dichloro- Chemical and Physical Properties
Names and Identifiers
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- Alanine, 3,3-dichloro-
- (2R)-2-amino-3,3-dichloropropanoic acid
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- Inchi： 1S/C3H5Cl2NO2/c4-2(5)1(6)3(7)8/h1-2H,6H2,(H,7,8)/t1-/m0/s1
- InChI Key： IIOUDXWGHFTXPM-SFOWXEAESA-N
- SMILES： ClC([C@@H](C(=O)O)N)Cl
Computed Properties
- Exact Mass: 156.96985
- Monoisotopic Mass: 156.9697338g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 95.3
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2
- Topological Polar Surface Area: 63.3?2
Experimental Properties
- PSA: 63.32
Alanine, 3,3-dichloro- Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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