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EC number: 915-761-2 | CAS number: -
Reference substances
- IUPAC name:
- diethyl sulfate - N-benzyl-N-methyl-4-[(1-methyl-1H-1,2,4-triazol-5-yl)diazenyl]aniline (1:1)
Inventory
- EC number:
- 263-444-6
- EC name:
- Diethyl sulphate, compound with N-methyl-N-[4-[(1-methyl-1H-1,2,4-triazol-5-yl)azo]phenyl]benzylamine (1:1)
- CAS number:
- 62163-53-5
- CAS number:
- 62163-53-5
Synonyms
- Names:
- Sulfuric acid, dimethyl ester, compd. with N-methyl-N-[4-[(1-methyl- 1H-1,2,4-triazol-5-yl)azo]phenyl]benzenemethanamine (1:1)
- Sulfuric acid, dimethyl ester, compd. with N-methyl-N-[4-[(1-methyl-1H-1,2,4-triazol-5-yl)azo]phenyl]benzenemethanamine (1:1)
- Identifier:
- IUPAC name
- N-benzyl-N-methyl-4-[2-(1-methyl-1H-1,2,4-triazol-5-yl)diazen-1-yl]aniline; dimethyl sulfate
- Identifier:
- other: Molecular formula
- C17H18N6.C2H6O4S C19H24N6O4S
- Identifier:
- other: SMILES notation
- COS(=O)(=O)OC.CN(Cc1ccccc1)c1ccc(cc1)N=Nc1ncnn1C
- Identifier:
- other: InChl
- InChI=1S/C17H18N6.C2H6O4S/c1-22(12-14-6-4-3-5-7-14)16-10-8-15(9-11-16)20-21-17-18-13-19-23(17)2;1-5-7(3,4)6-2/h3-11,13H,12H2,1-2H3;1-2H3 AuxInfo=1/0/N:16,1,21,20,22,19,23,10,14,11,13,17,4,18,9,12,6,5,3,8,7,15,2;28,30,24,26,27,29,25/E:(4,5)(6,7)(8,9)(10,11);(1,2)(3,4)(5,6)/CRV:;7.6/rA:30CNNCNCNNCCCCCCNCCCCCCCCOSOOCOC/rB:s1;s2;d3;s4;s2d5;v6;d?7;s8;d9;s10;d11;s12;s9d13;s12;s15;s15;s17;d18;s19;d20;s21;s18d22;;d24;d25;s25;s27;s25;s29;/rC:6.9826,1.7987,0;6.9826,.2587,0;8.2284,-.6465,0;7.7526,-2.1112,0;6.2126,-2.1112,0;5.7367,-.6465,0;4.272,-.1706,0;3.1276,-1.2011,0;1.663,-.7252,0;.5185,-1.7557,0;-.9461,-1.2798,0;-1.2663,.2266,0;-.1218,1.257,0;1.3428,.7811,0;-2.7309,.7024,0;-3.0511,2.2088,0;-3.8754,-.328,0;-5.34,.1479,0;-6.4844,-.8826,0;-7.9491,-.4067,0;-8.2692,1.0996,0;-7.1248,2.1301,0;-5.6602,1.6542,0;16.4784,1.54,0;16.4784,0,0;16.4784,-1.54,0;18.0184,0,0;18.7884,-1.3337,0;14.9384,0,0;14.1684,1.3337,0;
Molecular and structural information
- Molecular formula:
- C17H18N6.C2H6O4S
- Molecular weight:
- 460.55
- SMILES notation:
- Cn3ncnc3N=Nc1ccc(cc1)N(C)Cc2ccccc2.O=S(=O)(OCC)OCC
- InChl:
- InChI=1/C17H18N6.C4H10O4S/c1-22(12-14-6-4-3-5-7-14)16-10-8-15(9-11-16)20-21-17-18-13-19-23(17)2;1-3-7-9(5,6)8-4-2/h3-11,13H,12H2,1-2H3;3-4H2,1-2H3
- Structural formula:
Related substances
- Identifier:
- EC number
- Identity:
- 915-761-2
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