 Home > Encyclopedia > N,N′,N′′-[(2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methyl-3,1-phenylene)]tris[hexahydro-2-oxo-1H-azepine-1-carboxamide]

N,N′,N′′-[(2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methyl-3,1-phenylene)]tris[hexahydro-2-oxo-1H-azepine-1-carboxamide]

N,N′,N′′-[(2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methyl-3,1-phenylene)]tris[hexahydro-2-oxo-1H-azepine-1-carboxamide] structure

CAS No:
68310-49-6
Formula:
C45H51N9O9
Chemical Name:
N,N′,N′′-[(2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methyl-3,1-phenylene)]tris[hexahydro-2-oxo-1H-azepine-1-carboxamide]
Synonyms:
1H-Azepine-1-carboxamide,N,N′,N′′-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methyl-3,1-phenylene)]tris[hexahydro-2-oxo-;N,N′,N′′-[(2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methyl-3,1-phenylene)]tris[hexahydro-2-oxo-1H-azepine-1-carboxamide];Caprolactam-blocked TDI trimer;332080-64-5

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N,N′,N′′-[(2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methyl-3,1-phenylene)]tris[hexahydro-2-oxo-1H-azepine-1-carboxamide] Basic Attributes

Molecular Weight：

861.94100

Exact Mass：

861.38097424

EC Number：

269-716-0

DSSTox ID：

DTXSID0071413

Characteristics

PSA：

224.70000

XLogP3：

5.72250

Density：

1.405g/cm3

Refractive Index：

1.67

N,N′,N′′-[(2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methyl-3,1-phenylene)]tris[hexahydro-2-oxo-1H-azepine-1-carboxamide] Use and Manufacturing

Manufacturing Info：

1H-Azepine-1-carboxamide, N,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methyl-3,1-phenylene)]tris[hexahydro-2-oxo-: INACTIVE

Computed Properties

Molecular Weight:861.9
XLogP3:4.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:861.38097424
Monoisotopic Mass:861.38097424
Topological Polar Surface Area:209
Heavy Atom Count:63
Complexity:1570
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N,N′,N′′-[(2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methyl-3,1-phenylene)]tris[hexahydro-2-oxo-1H-azepine-1-carboxamide]

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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