Cas no 67952-30-1 (bis(2-hydroxypropyl)ammonium citrate)
67952-30-1 structure
Product Name:bis(2-hydroxypropyl)ammonium citrate
CAS No:67952-30-1
MF:C12H23NO9
MW:325.312324762344
CID:967959
PubChem ID:21118216
Update Time:2025-04-19
bis(2-hydroxypropyl)ammonium citrate Chemical and Physical Properties
Names and Identifiers
-
- bis(2-hydroxypropyl)ammonium citrate
- 2-hydroxypropane-1,2,3-tricarboxylic acid,3-(3-hydroxypropylamino)propan-1-ol
- 67952-30-1
- 2-Hydroxypropane-1,2,3-tricarboxylic acid--1,1'-azanediyldi(propan-2-ol) (1/1)
- DTXSID00987342
- GNSMVJZPJVSHOU-UHFFFAOYSA-N
-
- Inchi： 1S/C6H15NO2.C6H8O7/c1-5(8)3-7-4-6(2)9;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-9H,3-4H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
- InChI Key： GNSMVJZPJVSHOU-UHFFFAOYSA-N
- SMILES： OC(C(=O)O)(CC(=O)O)CC(=O)O.OC(C)CNCC(C)O
Computed Properties
- Exact Mass: 325.13728131g/mol
- Monoisotopic Mass: 325.13728131g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 22
- Rotatable Bond Count: 9
- Complexity: 287
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 185?2
bis(2-hydroxypropyl)ammonium citrate 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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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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