Cas no 93919-72-3 (Phosphonic acid,[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-,heptaammonium salt (9CI))
![Phosphonic acid,[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-,heptaammonium salt (9CI) structure](https://ossimg.kuujia.com/scimg/94000/93919-72-3x500.png)
93919-72-3 structure
Product Name:Phosphonic acid,[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-,heptaammonium salt (9CI)
CAS No:93919-72-3
MF:C9H49N10O15P5
MW:692.412165403366
CID:804946
PubChem ID:56843967
Update Time:2025-04-19
Phosphonic acid,[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-,heptaammonium salt (9CI) Chemical and Physical Properties
Names and Identifiers
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- Phosphonic acid,[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-,heptaammonium salt (9CI)
- heptaammonium trihydrogen [[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate
- heptaazanium,N-[2-[bis(phosphonatomethyl)amino]ethyl]-N,N',N'-tris(phosphonatomethyl)ethane-1,2-diamine,hydron
- EINECS 300-055-3
- 93919-72-3
- Heptaammonium trihydrogen (((phosphonatomethyl)imino)bis(ethane-2,1-diylnitrilobis(methylene)))tetrakisphosphonate
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- Inchi： 1S/C9H28N3O15P5.7H3N/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);7*1H3
- InChI Key： YTUFNKYFUBDOKK-UHFFFAOYSA-N
- SMILES： P(CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[H+].[H+].[H+]
Computed Properties
- Exact Mass: 692.20669588g/mol
- Monoisotopic Mass: 692.20669588g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 10
- Hydrogen Bond Acceptor Count: 18
- Heavy Atom Count: 39
- Rotatable Bond Count: 11
- Complexity: 663
- Covalently-Bonded Unit Count: 11
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 333?2
Experimental Properties
- Boiling Point: 1161.4°Cat760mmHg
- Flash Point: 656.2°C
- PSA: 369.10000
- LogP: -0.16430
Phosphonic acid,[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-,heptaammonium salt (9CI) Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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