Derivatization Reagents

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#: 179951-63-4       

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#: 1556-34-9       

Formula:  C₁₄H₁₀BrN        Molecular Weight: 272.15

IUPAC Name: 9-(bromomethyl)acridine

SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CBr

InChIKey: MZFYKBHQWLWIBI-UHFFFAOYSA-N

InChI: InChI=1S/C14H10BrN/c15-9-12-10-5-1-3-7-13(10)16-14-8-4-2-6-11(12)14/h1-8H,9H2

Cas#: 178065-29-7       

Formula:  C₁₂H₁₅FN₄O₅        Molecular Weight: 314.27

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

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

InChIKey: WCOZOJGXDVGGIK-VIFPVBQESA-N

InChI: InChI=1S/C12H15FN4O5/c1-6(2)3-9(12(14)18)15-8-4-7(13)10(16(19)20)5-11(8)17(21)22/h4-6,9,15H,3H2,1-2H3,(H2,14,18)/t9-/m0/s1

Cas#: 91366-65-3       

Formula:  C₆H₄FN₃O₃S        Molecular Weight: 217.18

IUPAC Name: 7-fluoro-2,1,3-benzoxadiazole-4-sulfonamide

SMILES: C1=C(C2=NON=C2C(=C1)S(=O)(=O)N)F

InChIKey: XROXHZMRDABMHS-UHFFFAOYSA-N

InChI: InChI=1S/C6H4FN3O3S/c7-3-1-2-4(14(8,11)12)6-5(3)9-13-10-6/h1-2H,(H2,8,11,12)

Cas#: 131467-87-3       

Formula:  C₆H₅N₅O₃·H₄N₂        Molecular Weight: 227.18

IUPAC Name: hydrazine;(4-nitro-2,1,3-benzoxadiazol-7-yl)hydrazine

SMILES: C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NN.NN

InChIKey: BLIOAKMSUDUCKB-UHFFFAOYSA-N

InChI: InChI=1S/C6H5N5O3.H4N2/c7-8-3-1-2-4(11(12)13)6-5(3)9-14-10-6;1-2/h1-2,8H,7H2;1-2H2

Cas#: 131467-86-2       

Formula:  C₈H₁₁N₅O₃S        Molecular Weight: 257.27

IUPAC Name: 7-hydrazinyl-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

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

InChIKey: VPDDJYGQJSTHTA-UHFFFAOYSA-N

InChI: InChI=1S/C8H11N5O3S/c1-13(2)17(14,15)6-4-3-5(10-9)7-8(6)12-16-11-7/h3-4,10H,9H2,1-2H3

Cas#: 163927-29-5        Compound CID:  16218431

Formula:  C₁₁H₉N₅O₃S        Molecular Weight: 291.29

IUPAC Name: 7-[(3R)-3-isothiocyanatopyrrolidin-1-yl]-4-nitro-2,1,3-benzoxadiazole

SMILES: C1CN(CC1N=C=S)C2=CC=C(C3=NON=C23)[N+](=O)[O-]

InChIKey: CHKCHHTYBXOUKH-SSDOTTSWSA-N

InChI: InChI=1S/C11H9N5O3S/c17-16(18)9-2-1-8(10-11(9)14-19-13-10)15-4-3-7(5-15)12-6-20/h1-2,7H,3-5H2/t7-/m1/s1

Cas#: 88404-25-5       

Formula:  C₁₂H₁₁BrO₄        Molecular Weight: 299.12

IUPAC Name: 4-(bromomethyl)-6,7-dimethoxychromen-2-one

SMILES: COC1=C(C=C2C(=C1)C(=CC(=O)O2)CBr)OC

InChIKey: JGODLBJJCNQFII-UHFFFAOYSA-N

InChI: InChI=1S/C12H11BrO4/c1-15-10-4-8-7(6-13)3-12(14)17-9(8)5-11(10)16-2/h3-5H,6H2,1-2H3

Cas#: 143112-49-6        Compound CID:  15682838

Formula:  C₁₂H₁₇N₅O₃S        Molecular Weight: 311.36

IUPAC Name: 7-[(3R)-3-aminopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCC(C3)N

InChIKey: SZJGHUNJZRXXCA-MRVPVSSYSA-N

InChI: InChI=1S/C12H17N5O3S/c1-16(2)21(18,19)10-4-3-9(11-12(10)15-20-14-11)17-6-5-8(13)7-17/h3-4,8H,5-7,13H2,1-2H3/t8-/m1/s1

Cas#: 143112-50-9        Compound CID:  15682839

Formula:  C₁₂H₁₇N₅O₃S        Molecular Weight: 311.36

IUPAC Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCC(C3)N

InChIKey: SZJGHUNJZRXXCA-QMMMGPOBSA-N

InChI: InChI=1S/C12H17N5O3S/c1-16(2)21(18,19)10-4-3-9(11-12(10)15-20-14-11)17-6-5-8(13)7-17/h3-4,8H,5-7,13H2,1-2H3/t8-/m0/s1

Cas#: 163927-32-0        Compound CID:  16218753

Formula:  C₁₃H₁₅N₅O₃S₂        Molecular Weight: 353.42

IUPAC Name: 7-[(3S)-3-isothiocyanatopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCC(C3)N=C=S

InChIKey: YMXYIIXTKUQWPC-VIFPVBQESA-N

InChI: InChI=1S/C13H15N5O3S2/c1-17(2)23(19,20)11-4-3-10(12-13(11)16-21-15-12)18-6-5-9(7-18)14-8-22/h3-4,9H,5-7H2,1-2H3/t9-/m0/s1