Cas no 120447-91-8 (Alanine, 2-methyl-,potassium salt (1:1))
120447-91-8 structure
Product Name:Alanine, 2-methyl-,potassium salt (1:1)
CAS No:120447-91-8
MF:C4H9KNO2
MW:142.218062162399
CID:105006
PubChem ID:88383321
Update Time:2025-04-18
Alanine, 2-methyl-,potassium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Alanine, 2-methyl-,potassium salt (1:1)
- 2-AMINOISOBUTYRIC ACID POTASSIUM SALT
- potassium 2-amino-2-methylpropionate octahydrate
- AIB potassiuM salt
- SCHEMBL8902015
- 120447-91-8
- 2-amino-2-methylpropanoic acid;potassium
-
- Inchi： 1S/C4H9NO2.K/c1-4(2,5)3(6)7;/h5H2,1-2H3,(H,6,7);
- InChI Key： HDRMIDCDIDQPFC-UHFFFAOYSA-N
- SMILES： [K].OC(C(C)(C)N)=O
Computed Properties
- Exact Mass: 285.10400
- Monoisotopic Mass: 142.02703501g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 87.7
- 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: 63.3?2
Experimental Properties
- PSA: 139.99000
- LogP: -1.34050
Alanine, 2-methyl-,potassium salt (1:1) Security Information
- Hazard Category Code： 22-35
- Safety Instruction： S26; S28; S36/37/39; S45
-
Hazardous Material Identification：
- Risk Phrases：R22; R35
Alanine, 2-methyl-,potassium salt (1:1) Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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