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Reference substances

Reference substances

Currently viewing:
IUPAC name:
N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diallylamino)-4-methoxyphenyl]acetamide

Inventory

EC number:
257-486-4
EC name:
N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diallylamino)-4-methoxyphenyl]acetamide
CAS number:
51868-46-3
CAS number:
51868-46-3
Synonyms
Names:
Acetamide, N-[2-[(2-bromo-4,6-dinitrophenyl) azo]-5-(di-2-propenylamino)-4-methoxyphenyl ]-
Acetamide, N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(di-2-propenylamino)-4-methoxyphenyl]-
Identifier:
CAS number
51868-46-3
Identifier:
IUPAC name
N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diallylamino)-4-methoxyphenyl]acetamide
Identifier:
IUPAC name
N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diallylamino)-4-methoxyphenyl]acetamide
Identifier:
IUPAC name
N-{5-[bis(prop-2-en-1-yl)amino]-2-[(E)-2-(2-bromo-4,6-dinitrophenyl)diazen-1-yl]-4-methoxyphenyl}acetamide
Identifier:
other: SMILES notation
Brc2cc(cc(c2/N=N/c1cc(OC)c(cc1NC(C)=O)N(CC=C)CC=C)[N+]([O-])=O)[N+]([O-])=O
Identifier:
other: Molecular formula
C21H21BrN6O6
Identifier:
other: SMILES notation
COc1cc(\N=N\c2c(Br)cc(cc2[N+]([O-])=O)[N+]([O-])=O)c(NC(C)=O)cc1N(CC=C)CC=C
Identifier:
other: SMILES notation
Clc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC=C)CC=C)[N+]([O-])=O)[N+]([O-])=O
Identifier:
other: InChl
InChI=1S/C21H21BrN6O6/c1-5-7-26(8-6-2)18-11-16(23-13(3)29)17(12-20(18)34-4)24-25-21-15(22)9-14(27(30)31)10-19(21)28(32)33/h5-6,9-12H,1-2,7-8H2,3-4H3,(H,23,29)/b25-24+
Identifier:
other: InChl
InChI=1S/C21H21BrN6O6/c1-5-7-26(8-6-2)18-11-16(23-13(3)29)17(12-20(18)34-4)24-25-21-15(22)9-14(27(30)31)10-19(21)28(32)33/h5-6,9-12H,1-2,7-8H2,3-4H3,(H,23,29)/b25-24+ AuxInfo=1/1/N:31,34,1,27,30,33,29,32,17,15,6,9,2,16,18,5,10,7,14,8,13,19,4,11,12,28,20,23,3,21,22,24,25,26/E:(1,2)(5,6)(7,8)(30,31)(32,33)/CRV:27.5,28.5/rA:34CCONCCCCCCNNCCCCCCBrN+OO-N+OO-OCNCCCCCC/rB:s1;d2;s2;s4;d+5;s6;d-7;s8;s5d-9;s10;d+11;s12;d+13;s14;d-15;s16;s13d-17;s18;s16;d20;s20;s14;d23;s23;s8;s26;s7;s28;s29;d30;s28;s32;d33;/rC:10.8123,-5.342,0;9.2561,-5.342,0;8.4862,-4.0105,0;8.4862,-6.6894,0;6.9462,-6.6894,0;6.1761,-5.342,0;4.6361,-5.342,0;3.8661,-6.6894,0;4.6361,-8.0209,0;6.1761,-8.0209,0;6.9462,-9.3524,0;8.4862,-9.3524,0;9.2561,-10.6999,0;8.4862,-12.0314,0;9.2561,-13.3629,0;10.8123,-13.3629,0;11.5823,-12.0314,0;10.8123,-10.6999,0;11.5823,-9.3524,0;11.5823,-14.7105,0;10.8123,-16.0419,0;13.1223,-14.7105,0;6.9462,-12.0314,0;6.1761,-10.6999,0;6.1761,-13.3629,0;2.31,-6.6894,0;1.54,-8.0209,0;3.8661,-4.0105,0;4.6361,-2.679,0;3.8661,-1.3315,0;4.6361,0,0;2.31,-4.0105,0;1.54,-5.342,0;0,-5.342,0;
N-{2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(diallylamino)-4-methoxyphenyl}acetamide

Molecular and structural information

Molecular formula:
C21H21BrN6O6
Molecular weight:
533.332
SMILES notation:
Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC=C)CC=C)[N+]([O-])=O)[N+]([O-])=O
InChl:
InChI=1/C21H21BrN6O6/c1-5-7-26(8-6-2)18-11-16(23-13(3)29)17(12-20(18)34-4)24-25-21-15(22)9-14(27(30)31)10-19(21)28(32)33/h5-6,9-12H,1-2,7-8H2,3-4H3,(H,23,29)
Structural formula:
Chemical structure

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