Cas no 93803-05-5 (1,2,4-Butanetricarboxylicacid, 2-phosphono-, ammonium salt (1:4))
93803-05-5 structure
Product Name:1,2,4-Butanetricarboxylicacid, 2-phosphono-, ammonium salt (1:4)
CAS No:93803-05-5
MF:C7H23N4O9P
MW:338.252682924271
CID:806940
PubChem ID:44150767
Update Time:2025-04-19
1,2,4-Butanetricarboxylicacid, 2-phosphono-, ammonium salt (1:4) Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Butanetricarboxylicacid, 2-phosphono-, ammonium salt (1:4)
- 1,2,4-Butanetricarboxylate, 2-phosphono-, ammonium salt (1:4)
- tetraammonium hydrogen 2-phosphonobutane-1,2,4-tricarboxylate
- 93803-05-5
- EINECS 298-278-3
-
- Inchi: 1S/C7H11O9P.4H3N/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16;;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16);4*1H3
- InChI Key: OKYZCYSYTBASGO-UHFFFAOYSA-N
- SMILES: P(C(C(=O)[O-])(CC(=O)O)CCC(=O)[O-])(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]
Computed Properties
- Exact Mass: 338.12
- Monoisotopic Mass: 338.12
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 360
- Covalently-Bonded Unit Count: 5
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 185A^2
Experimental Properties
- Boiling Point: 694°Cat760mmHg
- Flash Point: 373.5°C
- PSA: 192.20000
- LogP: 0.62260
1,2,4-Butanetricarboxylicacid, 2-phosphono-, ammonium salt (1:4) Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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