Cas no 83913-07-9 (Tri(1,3,5-triazine-2,4,6-triamine) phosphate)
83913-07-9 structure
Product Name:Tri(1,3,5-triazine-2,4,6-triamine) phosphate
CAS No:83913-07-9
MF:C9H21N18O4P
MW:476.354996442795
CID:723167
PubChem ID:44153590
Update Time:2025-04-19
Tri(1,3,5-triazine-2,4,6-triamine) phosphate Chemical and Physical Properties
Names and Identifiers
-
- Tri(1,3,5-triazine-2,4,6-triamine) phosphate
- phosphoric acid,1,3,5-triazine-2,4,6-triamine
- tri[1,3,5-triazine-2,4,6-triamine] phosphate
- NS00091107
- EINECS 281-286-6
- Phosphoric acid--1,3,5-triazinane-2,4,6-triimine (1/3)
- DTXSID001004059
- 83913-07-9
-
- Inchi： 1S/3C3H6N6.H3O4P/c3*4-1-7-2(5)9-3(6)8-1;1-5(2,3)4/h3*(H6,4,5,6,7,8,9);(H3,1,2,3,4)
- InChI Key： VEEYNHRIWSTTFZ-UHFFFAOYSA-N
- SMILES： P(=O)(O)(O)O.N1C(N)=NC(N)=NC=1N.N1C(N)=NC(N)=NC=1N.N1C(N)=NC(N)=NC=1N
Computed Properties
- Exact Mass: 476.173
- Monoisotopic Mass: 476.173
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 12
- Hydrogen Bond Acceptor Count: 22
- Heavy Atom Count: 32
- Rotatable Bond Count: 0
- Complexity: 113
- Covalently-Bonded Unit Count: 4
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 428A^2
Experimental Properties
- Boiling Point: 1349.9°C at 760 mmHg
- Flash Point: 770.2°C
- PSA: 444.33000
- LogP: -5.70310
Tri(1,3,5-triazine-2,4,6-triamine) phosphate Related Literature
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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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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