Unclassified Organic Compounds

Organic compounds that do not fit into any other organic chemical classification.

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646 – 660 of 162,840 results

646

4-Nitrophthalic acid, MP Biomedicals™

CAS: 610-27-5 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.13 MDL Number: MFCD00007252 InChI Key: SLBQXWXKPNIVSQ-UHFFFAOYSA-N

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Specifications

CAS	610-27-5
Molecular Weight (g/mol)	211.13
MDL Number	MFCD00007252
InChI Key	SLBQXWXKPNIVSQ-UHFFFAOYSA-N
Molecular Formula	C8H5NO6

647

N-Benzyloxycarbonyl-D-valine, 98+%

CAS: 1685-33-2 Molecular Formula: C13H17NO4 Molecular Weight (g/mol): 251.28 MDL Number: MFCD00065703 InChI Key: CANZBRDGRHNSGZ-LLVKDONJSA-N Synonym: z-d-val-oh,cbz-d-valine,n-benzyloxycarbonyl-d-valine,cbz-d-val-oh,n-cbz-d-valine,z-d-valine,n-carbobenzoxy-d-valine,benzyloxycarbonyl-d-valine,r-2-benzyloxy carbonyl amino-3-methylbutanoic acid,d-valine, n-phenylmethoxy carbonyl PubChem CID: 712434 IUPAC Name: (2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid SMILES: CC(C)[C@@H](NC(=O)OCC1=CC=CC=C1)C(O)=O

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Specifications

PubChem CID	712434
CAS	1685-33-2
Molecular Weight (g/mol)	251.28
MDL Number	MFCD00065703
SMILES	CC(C)[C@@H](NC(=O)OCC1=CC=CC=C1)C(O)=O
Synonym	z-d-val-oh,cbz-d-valine,n-benzyloxycarbonyl-d-valine,cbz-d-val-oh,n-cbz-d-valine,z-d-valine,n-carbobenzoxy-d-valine,benzyloxycarbonyl-d-valine,r-2-benzyloxy carbonyl amino-3-methylbutanoic acid,d-valine, n-phenylmethoxy carbonyl
IUPAC Name	(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid
InChI Key	CANZBRDGRHNSGZ-LLVKDONJSA-N
Molecular Formula	C13H17NO4

648

Deoxyribonucleic Acid Sodium Salt from Salmon or Herring Sperm , MP Biomedical

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649

BOC-N-Methyl-L-alanine, 99%

CAS: 16948-16-6 Molecular Formula: C9H17NO4 Molecular Weight (g/mol): 203.24 MDL Number: MFCD00037242 InChI Key: VLHQXRIIQSTJCQ-LURJTMIESA-N Synonym: boc-n-me-ala-oh,boc-n-methyl-l-alanine,n-boc-n-methyl-l-alanine,s-2-tert-butoxycarbonyl methyl amino propanoic acid,n-tert-butoxycarbonyl-n-methyl-l-alanine,boc-n-a-methyl-l-alanine,s-2-tert-butoxycarbonyl-methyl-amino-propionic acid,l-alanine, n-1,1-dimethylethoxy carbonyl-n-methyl,2s-2-tert-butoxycarbonyl methyl amino propanoic acid,2s-2-tert-butoxy carbonyl methyl amino propanoic acid PubChem CID: 7009590 IUPAC Name: (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid SMILES: C[C@H](N(C)C(=O)OC(C)(C)C)C(O)=O

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Specifications

PubChem CID	7009590
CAS	16948-16-6
Molecular Weight (g/mol)	203.24
MDL Number	MFCD00037242
SMILES	C[C@H](N(C)C(=O)OC(C)(C)C)C(O)=O
Synonym	boc-n-me-ala-oh,boc-n-methyl-l-alanine,n-boc-n-methyl-l-alanine,s-2-tert-butoxycarbonyl methyl amino propanoic acid,n-tert-butoxycarbonyl-n-methyl-l-alanine,boc-n-a-methyl-l-alanine,s-2-tert-butoxycarbonyl-methyl-amino-propionic acid,l-alanine, n-1,1-dimethylethoxy carbonyl-n-methyl,2s-2-tert-butoxycarbonyl methyl amino propanoic acid,2s-2-tert-butoxy carbonyl methyl amino propanoic acid
IUPAC Name	(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
InChI Key	VLHQXRIIQSTJCQ-LURJTMIESA-N
Molecular Formula	C9H17NO4

650

Hexaamminenickel(II) bromide, 99.999% (metals basis), Thermo Scientific Chemicals

CAS: 13601-55-3 Molecular Formula: Ni(NH₃)₆Br₂ MDL Number: MFCD04039935 Synonym: hexaamminenickel ii bromide,dibromonickel hexaamine

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Specifications

CAS	13601-55-3
MDL Number	MFCD04039935
Synonym	hexaamminenickel ii bromide,dibromonickel hexaamine
Molecular Formula	Ni(NH₃)₆Br₂

651

cis-2,3-Epoxybutane, 98%, Thermo Scientific Chemicals

CAS: 1758-33-4 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.11 MDL Number: MFCD00005128 InChI Key: PQXKWPLDPFFDJP-ZXZARUISSA-N Synonym: cis-2,3-epoxybutane,cis-2-butene oxide,cis-2,3-dimethyloxirane,oxirane, 2,3-dimethyl-, cis,cis-2-butene epoxide,cis-2-butylene oxide,butane, 2,3-epoxy-, cis,ccris 3758,2r,3s-2,3-dimethyloxirane,meso-2,3-epoxybutane PubChem CID: 92162 IUPAC Name: (2R,3S)-2,3-dimethyloxirane SMILES: C[C@H]1O[C@H]1C

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Specifications

PubChem CID	92162
CAS	1758-33-4
Molecular Weight (g/mol)	72.11
MDL Number	MFCD00005128
SMILES	C[C@H]1O[C@H]1C
Synonym	cis-2,3-epoxybutane,cis-2-butene oxide,cis-2,3-dimethyloxirane,oxirane, 2,3-dimethyl-, cis,cis-2-butene epoxide,cis-2-butylene oxide,butane, 2,3-epoxy-, cis,ccris 3758,2r,3s-2,3-dimethyloxirane,meso-2,3-epoxybutane
IUPAC Name	(2R,3S)-2,3-dimethyloxirane
InChI Key	PQXKWPLDPFFDJP-ZXZARUISSA-N
Molecular Formula	C4H8O

652

(+/-)-2-Pyrrolidinone-5-carboxylic acid, 99%

CAS: 149-87-1 Molecular Formula: C5H7NO3 Molecular Weight (g/mol): 129.12 MDL Number: MFCD00064322 InChI Key: ODHCTXKNWHHXJC-UHFFFAOYNA-N Synonym: dl-pyroglutamic acid,2-pyrrolidone-5-carboxylic acid,dl-proline, 5-oxo,5-oxo-dl-proline,pyroglutamate,h-dl-pyr-oh,pyrrolidonecarboxylic acid,5-oxoprolinate,d-+-pyroglutamic acid,dl-pidolic acid PubChem CID: 499 ChEBI: CHEBI:16010 IUPAC Name: 5-oxopyrrolidine-2-carboxylic acid SMILES: OC(=O)C1CCC(=O)N1

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Specifications

PubChem CID	499
CAS	149-87-1
Molecular Weight (g/mol)	129.12
ChEBI	CHEBI:16010
MDL Number	MFCD00064322
SMILES	OC(=O)C1CCC(=O)N1
Synonym	dl-pyroglutamic acid,2-pyrrolidone-5-carboxylic acid,dl-proline, 5-oxo,5-oxo-dl-proline,pyroglutamate,h-dl-pyr-oh,pyrrolidonecarboxylic acid,5-oxoprolinate,d-+-pyroglutamic acid,dl-pidolic acid
IUPAC Name	5-oxopyrrolidine-2-carboxylic acid
InChI Key	ODHCTXKNWHHXJC-UHFFFAOYNA-N
Molecular Formula	C5H7NO3

653

Esculin sesquihydrate

CAS: 66778-17-4 Molecular Formula: C30H38O21 Molecular Weight (g/mol): 734.613 MDL Number: MFCD00149492 InChI Key: LGMHQDJZWHRZPO-HPPUHPNBSA-N Synonym: esculin sesquihydrate PubChem CID: 131675424 IUPAC Name: 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one;trihydrate SMILES: C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O.C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O.O.O.O

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Specifications

PubChem CID	131675424
CAS	66778-17-4
Molecular Weight (g/mol)	734.613
MDL Number	MFCD00149492
SMILES	C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O.C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O.O.O.O
Synonym	esculin sesquihydrate
IUPAC Name	7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one;trihydrate
InChI Key	LGMHQDJZWHRZPO-HPPUHPNBSA-N
Molecular Formula	C30H38O21

654

Dichloro[1,1'-bis(dicyclohexylphosphino)ferrocene]palladium(II), Pd 14.1%, Thermo Scientific Chemicals

CAS: 917511-90-1 Molecular Formula: C34H52Cl2FeP2Pd Molecular Weight (g/mol): 755.90 MDL Number: MFCD11656081 Synonym: PdCl₂(dcypf); [1,1'-Bis(dicyclohexylphosphino)ferrocene]dichloropalladium(II) IUPAC Name: Dichloro[1,1'-bis(dicyclohexylphosphino)ferrocene]palladium(II) SMILES: [Fe].Cl[Pd]Cl.C1CCC(CC1)P(C1CCCCC1)c1cccc1.C1CCC(CC1)P(C1CCCCC1)c1cccc1

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Specifications

CAS	917511-90-1
Molecular Weight (g/mol)	755.90
MDL Number	MFCD11656081
SMILES	[Fe].Cl[Pd]Cl.C1CCC(CC1)P(C1CCCCC1)c1cccc1.C1CCC(CC1)P(C1CCCCC1)c1cccc1
Synonym	PdCl₂(dcypf); [1,1'-Bis(dicyclohexylphosphino)ferrocene]dichloropalladium(II)
IUPAC Name	Dichloro[1,1'-bis(dicyclohexylphosphino)ferrocene]palladium(II)
Molecular Formula	C34H52Cl2FeP2Pd

655

ITIC, Thermo Scientific Chemicals

CAS: 1664293-06-4 Molecular Formula: C94H82N4O2S4 Molecular Weight (g/mol): 1427.96 InChI Key: HQOWCDPFDSRYRO-UHFFFAOYSA-N Synonym: 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2’,3’-d’]-s-indaceno[1,2-i:5,6-b’]dithiophene IUPAC Name: 2-{2-[(20-{[1-(dicyanomethylidene)-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.0³,¹³.0⁴,¹¹.0⁶,¹⁰.0¹⁶,²³.0¹⁸,²²]tetracosa-1(15),2,4(11),6(10),7,13,16(23),18(22),19-nonaen-8-yl)methylidene]-3-oxo-2,3-dihydro-1H-inden-1-ylidene}propanedinitrile SMILES: CCCCCCC1=CC=C(C=C1)C1(C2=CC3=C(C=C2C2=C1C1=C(S2)C=C(S1)C=C1C(=O)C2=CC=CC=C2C1=C(C#N)C#N)C(C1=C3SC2=C1SC(C=C1C(=O)C3=CC=CC=C3C1=C(C#N)C#N)=C2)(C1=CC=C(CCCCCC)C=C1)C1=CC=C(CCCCCC)C=C1)C1=CC=C(CCCCCC)C=C1

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Specifications

CAS	1664293-06-4
Molecular Weight (g/mol)	1427.96
SMILES	CCCCCCC1=CC=C(C=C1)C1(C2=CC3=C(C=C2C2=C1C1=C(S2)C=C(S1)C=C1C(=O)C2=CC=CC=C2C1=C(C#N)C#N)C(C1=C3SC2=C1SC(C=C1C(=O)C3=CC=CC=C3C1=C(C#N)C#N)=C2)(C1=CC=C(CCCCCC)C=C1)C1=CC=C(CCCCCC)C=C1)C1=CC=C(CCCCCC)C=C1
Synonym	3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2’,3’-d’]-s-indaceno[1,2-i:5,6-b’]dithiophene
IUPAC Name	2-{2-[(20-{[1-(dicyanomethylidene)-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.0³,¹³.0⁴,¹¹.0⁶,¹⁰.0¹⁶,²³.0¹⁸,²²]tetracosa-1(15),2,4(11),6(10),7,13,16(23),18(22),19-nonaen-8-yl)methylidene]-3-oxo-2,3-dihydro-1H-inden-1-ylidene}propanedinitrile
InChI Key	HQOWCDPFDSRYRO-UHFFFAOYSA-N
Molecular Formula	C94H82N4O2S4

656

Fam Benzine, Solstice

CAS: 101316-46-5 MDL Number: MFCD00081849

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Specifications

CAS	101316-46-5
MDL Number	MFCD00081849

657

3-Ethoxy-2-cyclohexen-1-one, 99%

CAS: 5323-87-5 Molecular Formula: C8H12O2 Molecular Weight (g/mol): 140.18 MDL Number: MFCD00001580 InChI Key: JWCFJPLIRVYENQ-UHFFFAOYSA-N Synonym: 3-ethoxy-2-cyclohexen-1-one,3-ethoxycyclohex-2-enone,2-cyclohexen-1-one, 3-ethoxy,3-ethoxy-2-cyclohexenone,3-ethoxy-2-cyclohexene-1-one,3-ethoxycyclohex-2-ene-1-one,1-ethoxycyclohexene-3-one,acmc-209l4y,3-ethoxy-2-cyclohexen-one,3-ethoxy-cyclohex-2-enone PubChem CID: 79216 IUPAC Name: 3-ethoxycyclohex-2-en-1-one SMILES: CCOC1=CC(=O)CCC1

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Specifications

PubChem CID	79216
CAS	5323-87-5
Molecular Weight (g/mol)	140.18
MDL Number	MFCD00001580
SMILES	CCOC1=CC(=O)CCC1
Synonym	3-ethoxy-2-cyclohexen-1-one,3-ethoxycyclohex-2-enone,2-cyclohexen-1-one, 3-ethoxy,3-ethoxy-2-cyclohexenone,3-ethoxy-2-cyclohexene-1-one,3-ethoxycyclohex-2-ene-1-one,1-ethoxycyclohexene-3-one,acmc-209l4y,3-ethoxy-2-cyclohexen-one,3-ethoxy-cyclohex-2-enone
IUPAC Name	3-ethoxycyclohex-2-en-1-one
InChI Key	JWCFJPLIRVYENQ-UHFFFAOYSA-N
Molecular Formula	C8H12O2

658

1,4-Diazabicyclo[2.2.2]octane bis(sulfur dioxide) adduct, 97%

CAS: 119752-83-9 Molecular Formula: C₆H₁₂N₂O₄S₂ Molecular Weight (g/mol): 240.3 InChI Key: RWISEVUOFYXWFO-UHFFFAOYSA-N Synonym: 1,4-diazabicyclo 2.2.2 octane-1,4-diium-1,4-disulfinate,1,4-diazoniabicyclo 2.2.2 octane-1,4-disulfinate,1,4-diazabicyclo 2.2.2 octane-1,4-diium-1,4-disulf,1,4-diazabicyclo 2.2.2 octane bis sulfur dioxide adduct,1,4-diazoniabicyclo 2.2.2 octane-1,4-diylbis dioxosulfur vi,1,4-diazabicyclo 2.2.2 octane bis sulfur dioxide adduct sulfur, elemental analysis PubChem CID: 75176251 IUPAC Name: 1,4-diazoniabicyclo[2.2.2]octane-1,4-disulfinate SMILES: C1C[N+]2(CC[N+]1(CC2)S(=O)[O-])S(=O)[O-]

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Specifications

PubChem CID	75176251
CAS	119752-83-9
Molecular Weight (g/mol)	240.3
SMILES	C1C[N+]2(CC[N+]1(CC2)S(=O)[O-])S(=O)[O-]
Synonym	1,4-diazabicyclo 2.2.2 octane-1,4-diium-1,4-disulfinate,1,4-diazoniabicyclo 2.2.2 octane-1,4-disulfinate,1,4-diazabicyclo 2.2.2 octane-1,4-diium-1,4-disulf,1,4-diazabicyclo 2.2.2 octane bis sulfur dioxide adduct,1,4-diazoniabicyclo 2.2.2 octane-1,4-diylbis dioxosulfur vi,1,4-diazabicyclo 2.2.2 octane bis sulfur dioxide adduct sulfur, elemental analysis
IUPAC Name	1,4-diazoniabicyclo[2.2.2]octane-1,4-disulfinate
InChI Key	RWISEVUOFYXWFO-UHFFFAOYSA-N
Molecular Formula	C₆H₁₂N₂O₄S₂

659

Water ACS reagent, For ultratrace analysis, MilliporeSigma™ Supelco™

MDL Number: MFCD00011332

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Specifications

MDL Number	MFCD00011332

660

Thermo Scientific Chemicals 4-Epitetracycline hydrochloride, can be used as a secondary standard

CAS: 23313-80-6 Molecular Formula: C₂₂H₂₄N₂O₈·HCl Molecular Weight (g/mol): 480.89 MDL Number: MFCD00865028 InChI Key: YCIHPQHVWDULOY-DXDJYCPMSA-N Synonym: 4-epitetracycline hydrochloride,epitetracycline hydrochloride,4-epi-tetracycline hydrochloride,quatrimycin hydrochloride,epitetracycline hcl,unii-i7c3edl2yg,i7c3edl2yg,epitetracycline hydrochloride usp,4r,4as,5as,6s,12as-4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide monohydrochloride PubChem CID: 54686189 IUPAC Name: (4R,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride SMILES: CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl

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Specifications

PubChem CID	54686189
CAS	23313-80-6
Molecular Weight (g/mol)	480.89
MDL Number	MFCD00865028
SMILES	CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl
Synonym	4-epitetracycline hydrochloride,epitetracycline hydrochloride,4-epi-tetracycline hydrochloride,quatrimycin hydrochloride,epitetracycline hcl,unii-i7c3edl2yg,i7c3edl2yg,epitetracycline hydrochloride usp,4r,4as,5as,6s,12as-4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide monohydrochloride
IUPAC Name	(4R,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride
InChI Key	YCIHPQHVWDULOY-DXDJYCPMSA-N
Molecular Formula	C₂₂H₂₄N₂O₈·HCl

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