Cas no 36321-40-1 (b-Alanine, calcium salt (2:1))
b-Alanine, calcium salt (2:1) structure
Product Name:b-Alanine, calcium salt (2:1)
CAS No:36321-40-1
MF:C6H12CaN2O4
MW:216.248480796814
CID:306504
PubChem ID:161901
Update Time:2025-04-19
b-Alanine, calcium salt (2:1) Chemical and Physical Properties
Names and Identifiers
-
- b-Alanine, calcium salt (2:1)
- calcium,3-aminopropanoate
- Β-ALANINE CALCIUM SALT (2:1)
- beta-Alanine, calcium salt (2:1)
- Calcium beta-alanate
- calcium bis(3-aminopropanoate)
- Calcium di-beta-alaninate
- calcium;3-aminopropanoate
- EINECS 252-973-8
- 36321-40-1
- calcium beta alanate
- W-109217
- XS9ZS53HBP
- UNII-XS9ZS53HBP
- calciumdi-beta-alaninate
- DTXSID70890834
- QRTVQUYKMVAQBJ-UHFFFAOYSA-L
- calcium beta-alaninate
- SCHEMBL11787367
- .beta.-Alanine, calcium salt (2:1)
- Q27293973
- Calcium di-alaninate
-
- Inchi： 1S/2C3H7NO2.Ca/c2*4-2-1-3(5)6;/h2*1-2,4H2,(H,5,6);/q;;+2/p-2
- InChI Key： QRTVQUYKMVAQBJ-UHFFFAOYSA-L
- SMILES： [Ca+2].[O-]C(CCN)=O.[O-]C(CCN)=O
Computed Properties
- Exact Mass: 216.04236
- Monoisotopic Mass: 216.042
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 47.2
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 132A^2
Experimental Properties
- Density: 1.166
- Boiling Point: 237.1°Cat760mmHg
- Flash Point: 97.2°C
- PSA: 132.3
b-Alanine, calcium salt (2:1) Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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