Derivatization Reagents

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#: 64626-32-0        Compound CID:  71668258

Formula:  C₂₀H₃₆O₆        Molecular Weight: 372.49

IUPAC Name: 7-[(2R,3S,4S)-4,6-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]oxan-3-yl]heptanoic acid

SMILES: CCCCCC(C=CC1C(C(CC(O1)O)O)CCCCCCC(=O)O)O

InChIKey: JSDWWNLTJCCSAV-VZBVYBAISA-N

InChI: InChI=1S/C20H36O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h12-13,15-18,20-22,25H,2-11,14H2,1H3,(H,23,24)/b13-12+/t15-,16-,17-,18+,20?/m0/s1

Cas#: 178065-30-0        Compound CID:  15817227

Formula:  C₁₂H₁₅FN₄O₅        Molecular Weight: 314.27

IUPAC Name: (2R)-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-SECBINFHSA-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-/m1/s1

Cas#: 57981-02-9        Compound CID:  122307

Formula:  C₇H₄F₅NO·HCl        Molecular Weight: 249.57

IUPAC Name: O-[(2,3,4,5,6-pentafluorophenyl)methyl]hydroxylamine;hydrochloride

SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)ON.Cl

InChIKey: HVMVKNXIMUCYJA-UHFFFAOYSA-N

InChI: InChI=1S/C7H4F5NO.ClH/c8-3-2(1-14-13)4(9)6(11)7(12)5(3)10;/h1,13H2;1H

Cas#: 26093-31-2        Compound CID:  92249

Formula:  C₁₀H₉NO₂        Molecular Weight: 175.18

IUPAC Name: 7-amino-4-methylchromen-2-one

SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)N

InChIKey: GLNDAGDHSLMOKX-UHFFFAOYSA-N

InChI: InChI=1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3

Cas#: 38183-12-9        Compound CID:  37927

Formula:  C₁₇H₁₀O₄        Molecular Weight: 278.26

IUPAC Name: 4'-phenylspiro[2-benzofuran-3,2'-furan]-1,3'-dione

SMILES: C1=CC=C(C=C1)C2=COC3(C2=O)C4=CC=CC=C4C(=O)O3

InChIKey: ZFKJVJIDPQDDFY-UHFFFAOYSA-N

InChI: InChI=1S/C17H10O4/c18-15-13(11-6-2-1-3-7-11)10-20-17(15)14-9-5-4-8-12(14)16(19)21-17/h1-10H

Cas#: 99-73-0        Compound CID:  7454

Formula:  C₈H₆Br₂O        Molecular Weight: 277.94

IUPAC Name: 2-bromo-1-(4-bromophenyl)ethanone

SMILES: C1=CC(=CC=C1C(=O)CBr)Br

InChIKey: FKJSFKCZZIXQIP-UHFFFAOYSA-N

InChI: InChI=1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2

Cas#: 39637-74-6        Compound CID:  170232

Formula:  C₁₀H₁₃ClO₃        Molecular Weight: 216.66

IUPAC Name: (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride

SMILES: CC1(C2(CCC1(OC2=O)C(=O)Cl)C)C

InChIKey: PAXWODJTHKJQDZ-VHSXEESVSA-N

InChI: InChI=1S/C10H13ClO3/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3/t9-,10+/m0/s1

Cas#: 1443438-29-6        Compound CID:  102343877

Formula:  C₁₁H₁₃N₃O₂S        Molecular Weight: 251.3

IUPAC Name: (2R)-1-(pyridin-3-ylcarbamothioyl)pyrrolidine-2-carboxylic acid

SMILES: C1CC(N(C1)C(=S)NC2=CN=CC=C2)C(=O)O

InChIKey: WDIJWXTYNMSAKY-SECBINFHSA-N

InChI: InChI=1S/C11H13N3O2S/c15-10(16)9-4-2-6-14(9)11(17)13-8-3-1-5-12-7-8/h1,3,5,7,9H,2,4,6H2,(H,13,17)(H,15,16)/t9-/m1/s1

Cas#: 70-11-1        Compound CID:  6259

Formula:  C₈H₇BrO        Molecular Weight: 199.04

IUPAC Name: 2-bromo-1-phenylethanone

SMILES: C1=CC=C(C=C1)C(=O)CBr

InChIKey: LIGACIXOYTUXAW-UHFFFAOYSA-N

InChI: InChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2

Cas#: 7149-49-7        Compound CID:  96400

Formula:  C₁₂H₈O₂        Molecular Weight: 184.19

IUPAC Name: naphthalene-2,3-dicarbaldehyde

SMILES: C1=CC=C2C=C(C(=CC2=C1)C=O)C=O

InChIKey: ZIPLKLQPLOWLTM-UHFFFAOYSA-N

InChI: InChI=1S/C12H8O2/c13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14/h1-8H