Derivatization Reagents

Cas#: 504-02-9        Compound CID:  10434

Formula:  C₆H₈O₂        Molecular Weight: 112.13

IUPAC Name: cyclohexane-1,3-dione

SMILES: C1CC(=O)CC(=O)C1

InChIKey: HJSLFCCWAKVHIW-UHFFFAOYSA-N

InChI: InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2

Cas#: 948995-62-8        Compound CID:  17751994

Formula:  C₂₃H₂₂N₂O₈        Molecular Weight: 454.44

IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-[3,5-dimethyl-4-[(4-nitrophenyl)methoxy]phenyl]-4-oxobutanoate

SMILES: CC1=CC(=CC(=C1OCC2=CC=C(C=C2)[N+](=O)[O-])C)C(=O)CCC(=O)ON3C(=O)CCC3=O

InChIKey: CUTCHWUKZOOSRX-UHFFFAOYSA-N

InChI: InChI=1S/C23H22N2O8/c1-14-11-17(19(26)7-10-22(29)33-24-20(27)8-9-21(24)28)12-15(2)23(14)32-13-16-3-5-18(6-4-16)25(30)31/h3-6,11-12H,7-10,13H2,1-2H3

Cas#: 75568-11-5        Compound CID:  2724285

Formula:  C₆H₆Br₂N₂·HCl        Molecular Weight: 302.39

IUPAC Name: 3,5-dibromobenzene-1,2-diamine;hydrochloride

SMILES: C1=C(C=C(C(=C1N)N)Br)Br.Cl

InChIKey: QOZDVKFQMGARCC-UHFFFAOYSA-N

InChI: InChI=1S/C6H6Br2N2.ClH/c7-3-1-4(8)6(10)5(9)2-3;/h1-2H,9-10H2;1H

Cas#: 5000-65-7        Compound CID:  101294

Formula:  C₉H₉BrO₂        Molecular Weight: 229.07

IUPAC Name: 2-bromo-1-(3-methoxyphenyl)ethanone

SMILES: COC1=CC=CC(=C1)C(=O)CBr

InChIKey: IOOHBIFQNQQUFI-UHFFFAOYSA-N

InChI: InChI=1S/C9H9BrO2/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5H,6H2,1H3

Cas#: 210529-62-7       

Formula:  C₁₁H₁₃FN₄O₅        Molecular Weight: 300.24

IUPAC Name: (2R)-2-(5-fluoro-2,4-dinitroanilino)-3-methylbutanamide

SMILES: CC(C)C(C(=O)N)NC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F

InChIKey: ZTFFRKNPAXXEBL-SNVBAGLBSA-N

InChI: InChI=1S/C11H13FN4O5/c1-5(2)10(11(13)17)14-7-3-6(12)8(15(18)19)4-9(7)16(20)21/h3-5,10,14H,1-2H3,(H2,13,17)/t10-/m1/s1

Cas#: 55907-61-4        Compound CID:  5463312

Formula:  C₆H₆N₄O₄·HCl        Molecular Weight: 234.6

IUPAC Name: (2,4-dinitrophenyl)hydrazine;hydrochloride

SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN.Cl

InChIKey: PUYFAZQODQZOFK-UHFFFAOYSA-N

InChI: InChI=1S/C6H6N4O4.ClH/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14;/h1-3,8H,7H2;1H

Cas#: 123-46-6        Compound CID:  67156

Formula:  C₅H₁₄ClN₃O        Molecular Weight: 167.64

IUPAC Name: (2-hydrazinyl-2-oxoethyl)-trimethylazanium;chloride

SMILES: C[N+](C)(C)CC(=O)NN.[Cl-]

InChIKey: YSULOORXQBDPCU-UHFFFAOYSA-N

InChI: InChI=1S/C5H13N3O.ClH/c1-8(2,3)4-5(9)7-6;/h4,6H2,1-3H3;1H

Cas#: 2086-26-2        Compound CID:  74967

Formula:  C₇H₈N₂O₃·HCl        Molecular Weight: 204.61

IUPAC Name: O-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride

SMILES: C1=CC(=CC=C1CON)[N+](=O)[O-].Cl

InChIKey: LKCAFSOYOMFQSL-UHFFFAOYSA-N

InChI: InChI=1S/C7H8N2O3.ClH/c8-12-5-6-1-3-7(4-2-6)9(10)11;/h1-4H,5,8H2;1H

Cas#: 95713-52-3        Compound CID:  5486955

Formula:  C₉H₉FN₄O₅        Molecular Weight: 272.19

IUPAC Name: (2S)-2-(5-fluoro-2,4-dinitroanilino)propanamide

SMILES: CC(C(=O)N)NC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F

InChIKey: NEPLBHLFDJOJGP-BYPYZUCNSA-N

InChI: InChI=1S/C9H9FN4O5/c1-4(9(11)15)12-6-2-5(10)7(13(16)17)3-8(6)14(18)19/h2-4,12H,1H3,(H2,11,15)/t4-/m0/s1

Cas#: 179951-63-4        Compound CID:  44630077

Formula:  C₁₁H₁₆N₆O₄S        Molecular Weight: 328.35

IUPAC Name: 7-[(2-hydrazinyl-2-oxoethyl)-methylamino]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N(C)CC(=O)NN

InChIKey: CCERXXCKPHMFBQ-UHFFFAOYSA-N

InChI: InChI=1S/C11H16N6O4S/c1-16(2)22(19,20)8-5-4-7(10-11(8)15-21-14-10)17(3)6-9(18)13-12/h4-5H,6,12H2,1-3H3,(H,13,18)

Cas#: 156153-43-4        Compound CID:  133003

Formula:  C₁₁H₁₃ClN₄O₄S        Molecular Weight: 332.76

IUPAC Name: 2-[[4-(dimethylsulfamoyl)-2,1,3-benzoxadiazol-7-yl]-methylamino]acetyl chloride

SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N(C)CC(=O)Cl

InChIKey: NAIIBGUHMHXMNS-UHFFFAOYSA-N

InChI: InChI=1S/C11H13ClN4O4S/c1-15(2)21(18,19)8-5-4-7(16(3)6-9(12)17)10-11(8)14-20-13-10/h4-5H,6H2,1-3H3

Cas#: 643-79-8        Compound CID:  4807

Formula:  C₈H₆O₂        Molecular Weight: 134.13

IUPAC Name: phthalaldehyde

SMILES: C1=CC=C(C(=C1)C=O)C=O

InChIKey: ZWLUXSQADUDCSB-UHFFFAOYSA-N

InChI: InChI=1S/C8H6O2/c9-5-7-3-1-2-4-8(7)6-10/h1-6H