apholate 52-46-0

Details:

【Name】
2l5,4l5,6l5-1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexakis(1-aziridinyl)-
【Iupac name】
2,2,4,4,6,6-hexakis(aziridin-1-yl)-1,3,5-triaza-2λ5,4λ5,
6λ5-triphosphacyclohexa-1,3,5-triene
【CAS Registry number】
52-46-0
【Synonyms】
1,3,5,2,4,6-Triazatriphosphorine,2,2,4,4,6,6-hexakis(1-aziridinyl)-2,2,4,4,6,6-hexahydro- (6CI,7CI,8CI,9CI)
2,2,4,4,6,6-Hexahydro-2,2,4,4,6,6-hexakis(1-aziridinyl)-1,3,5,2,4,6-triazatriphosphorine
2,2,4,4,6,6-Hexakis(1-aziridinyl)-2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine
2,2,4,4,6,6-Hexakis(1-aziridinyl)cyclotriphosphaza-1,3,5-triene
APN
Apholate
ENT 26316
Hexa(1-aziridinyl)triphosphatriazine
Hexakis(aziridinyl)phosphotriazine
Myko 63
NSC 26812
【Molecular Formula】
C12H24 N9 P3 (Products with the same molecular formula)
【Molecular Weight】
387.36
【Inchi】
InChI=1/C12H24N9P3/c1-2-16(1)22(17-3-4-17)13-23(18-5-6-18,19-7-8-19)15-24(14-22,20-9-10-20)21-11-12-21/h1-12H2
【Canonical SMILES】
C1CN1P2(=NP(=NP(=N2)(N3CC3)N4CC4)(N5CC5)N6CC6)N7CC7
Chemical and Physical Properties
【Density】
2.32g/cm3
【Melting Point】
147.5 DEG C (CRYSTALLIZED FROM HEPTANE); 154-154.5 DEG C (CRYSTALLIZED FROM ETHYLACETATE)
【Boiling Point】
°Cat760mmHg
【Refractive Index】
2.201
【Flash Point】
°C
【Color/Form】
CRYSTALS FROM HEPTANE
【Computed Properties】
Molecular Weight:387.300543 [g/mol]
Molecular Formula:C12H24N9P3
XLogP3-AA:0.6
H-Bond Donor:0
H-Bond Acceptor:9
Rotatable Bond Count:6
Exact Mass:387.136751
MonoIsotopic Mass:387.136751
Topological Polar Surface Area:55.1
Heavy Atom Count:24
Formal Charge:0
Complexity:592
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Ring Count:1
Effective Rotor Count:9.6
Conformer Sampling RMSD:1
CID Conformer Count:5
Safety and Handling
【Safety Statements 】
Poison by ingestion and intramuscular routes. An experimental teratogen. Other experimental reproductive effects. Human mutagenic data. Questionable carcinogen. When heated to decomposition it emits very toxic fumes of NOx and POx.
【HazardClass】
6.1(b)
【Safety】
Poison by ingestion and intramuscular routes. An experimental teratogen. Other experimental reproductive effects. Human mutagenic data. Questionable carcinogen. When heated to decomposition it emits very toxic fumes of NOx and POx.
【PackingGroup 】
III
【Transport】
2811
【Specification】
Apholate ,its CAS NO. is 52-46-0,the synonyms is 2,2,4,4,6,6-Hexaaziridin-1-yl-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-tri phosphacyclohexa-1,3,5-triene ; 2,2,4,4,6,6-Hexakis(1-aziridinyl)-2,2,4,4,6,6-hexahydro-1,. ; Apn ; Myko 63 ; Myko-63 ; Nsc-26812 ; Om-2174 .
【Report】
IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 9 (1975),p. 31.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . EPA Genetic Toxicology Program.