Unclassified Organic Compounds

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

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3,496 – 3,510 of 162,937 results

3,496

2,2,5-Trimethylhexane 99.0+%, TCI America™

CAS: 3522-94-9 Molecular Formula: C9H20 Molecular Weight (g/mol): 128.26 MDL Number: MFCD00026525 InChI Key: HHOSMYBYIHNXNO-UHFFFAOYSA-N PubChem CID: 19041 IUPAC Name: 2,2,5-trimethylhexane SMILES: CC(C)CCC(C)(C)C

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Specifications

PubChem CID	19041
CAS	3522-94-9
Molecular Weight (g/mol)	128.26
MDL Number	MFCD00026525
SMILES	CC(C)CCC(C)(C)C
IUPAC Name	2,2,5-trimethylhexane
InChI Key	HHOSMYBYIHNXNO-UHFFFAOYSA-N
Molecular Formula	C9H20

3,497

5H-Pyrido[4,3-b]indole 98.0+%, TCI America™

CAS: 244-69-9 Molecular Formula: C11H8N2 Molecular Weight (g/mol): 168.20 MDL Number: MFCD00965976 InChI Key: RDMFHRSPDKWERA-UHFFFAOYSA-N Synonym: gamma-Carboline PubChem CID: 130802 IUPAC Name: 5H-pyrido[4,3-b]indole SMILES: N1C2=C(C=CC=C2)C2=C1C=CN=C2

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Specifications

PubChem CID	130802
CAS	244-69-9
Molecular Weight (g/mol)	168.20
MDL Number	MFCD00965976
SMILES	N1C2=C(C=CC=C2)C2=C1C=CN=C2
Synonym	gamma-Carboline
IUPAC Name	5H-pyrido[4,3-b]indole
InChI Key	RDMFHRSPDKWERA-UHFFFAOYSA-N
Molecular Formula	C11H8N2

3,498

3-Methylnonane 98.0+%, TCI America™

CAS: 5911-04-6 Molecular Formula: C10H22 Molecular Weight (g/mol): 142.29 MDL Number: MFCD00027308 InChI Key: PLZDDPSCZHRBOY-UHFFFAOYNA-N PubChem CID: 22202 IUPAC Name: 3-methylnonane SMILES: CCCCCCC(C)CC

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Specifications

PubChem CID	22202
CAS	5911-04-6
Molecular Weight (g/mol)	142.29
MDL Number	MFCD00027308
SMILES	CCCCCCC(C)CC
IUPAC Name	3-methylnonane
InChI Key	PLZDDPSCZHRBOY-UHFFFAOYNA-N
Molecular Formula	C10H22

3,499

tert-Butylferrocene 97.0+%, TCI America™

CAS: 1316-98-9 Molecular Formula: C14H18Fe MDL Number: MFCD00058729

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Specifications

CAS	1316-98-9
MDL Number	MFCD00058729
Molecular Formula	C14H18Fe

3,500

Magnesium Phenoxyacetate Dihydrate 98.0+%, TCI America™

CAS: 76172-73-1 Molecular Formula: C16H20MgO8 Molecular Weight (g/mol): 364.633 MDL Number: MFCD00059853 InChI Key: ZFPUMEQWQQBGMQ-UHFFFAOYSA-N Synonym: Phenoxyacetic Acid Magnesium Salt PubChem CID: 131884797 IUPAC Name: magnesium;2-phenoxyacetic acid;dihydrate SMILES: C1=CC=C(C=C1)OCC(=O)O.C1=CC=C(C=C1)OCC(=O)O.O.O.[Mg]

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Specifications

PubChem CID	131884797
CAS	76172-73-1
Molecular Weight (g/mol)	364.633
MDL Number	MFCD00059853
SMILES	C1=CC=C(C=C1)OCC(=O)O.C1=CC=C(C=C1)OCC(=O)O.O.O.[Mg]
Synonym	Phenoxyacetic Acid Magnesium Salt
IUPAC Name	magnesium;2-phenoxyacetic acid;dihydrate
InChI Key	ZFPUMEQWQQBGMQ-UHFFFAOYSA-N
Molecular Formula	C16H20MgO8

3,501

Ethyl 1-Methylpipecolate 97.0+%, TCI America™

CAS: 30727-18-5 Molecular Formula: C9H18NO2 Molecular Weight (g/mol): 172.25 MDL Number: MFCD00006492 InChI Key: ZICBNHLULHJETL-MRVPVSSYSA-O Synonym: ethyl 1-methylpipecolinate,ethyl 1-methyl-2-piperidinecarboxylate,ethyl n-methylpipecolinate,ethyl 1-methylpipecolate,2-piperidinecarboxylic acid, 1-methyl-, ethyl ester,1-methylpipecolic acid ethyl ester,pubchem11770,methyl 1-methyl piperidine-2-carboxylate,acmc-209hid,ksc495g6f PubChem CID: 566742 IUPAC Name: (2R)-2-(ethoxycarbonyl)-1-methylpiperidin-1-ium SMILES: CCOC(=O)[C@H]1CCCC[NH+]1C

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Specifications

PubChem CID	566742
CAS	30727-18-5
Molecular Weight (g/mol)	172.25
MDL Number	MFCD00006492
SMILES	CCOC(=O)[C@H]1CCCC[NH+]1C
Synonym	ethyl 1-methylpipecolinate,ethyl 1-methyl-2-piperidinecarboxylate,ethyl n-methylpipecolinate,ethyl 1-methylpipecolate,2-piperidinecarboxylic acid, 1-methyl-, ethyl ester,1-methylpipecolic acid ethyl ester,pubchem11770,methyl 1-methyl piperidine-2-carboxylate,acmc-209hid,ksc495g6f
IUPAC Name	(2R)-2-(ethoxycarbonyl)-1-methylpiperidin-1-ium
InChI Key	ZICBNHLULHJETL-MRVPVSSYSA-O
Molecular Formula	C9H18NO2

3,502

N-Benzyliminodiacetic Acid 98.0+%, TCI America™

CAS: 3987-53-9 Molecular Formula: C11H13NO4 Molecular Weight (g/mol): 223.228 MDL Number: MFCD00004285 InChI Key: SZQUPQVVCLFZLC-UHFFFAOYSA-N PubChem CID: 77606 IUPAC Name: 2-[benzyl(carboxymethyl)amino]acetic acid SMILES: C1=CC=C(C=C1)CN(CC(=O)O)CC(=O)O

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Specifications

PubChem CID	77606
CAS	3987-53-9
Molecular Weight (g/mol)	223.228
MDL Number	MFCD00004285
SMILES	C1=CC=C(C=C1)CN(CC(=O)O)CC(=O)O
IUPAC Name	2-[benzyl(carboxymethyl)amino]acetic acid
InChI Key	SZQUPQVVCLFZLC-UHFFFAOYSA-N
Molecular Formula	C11H13NO4

3,503

Azocal A [for Calcium determination], TCI America™

CAS: 1836-22-2 Molecular Formula: C17H9N2Na3O9S2 Molecular Weight (g/mol): 518.35 MDL Number: MFCD00046379 InChI Key: SJYYQLRKEKKFSX-NETMGOMMSA-K PubChem CID: 131850130 IUPAC Name: trisodium 2-{2-[(1Z)-2-oxo-3,6-disulfonato-1,2-dihydronaphthalen-1-ylidene]hydrazin-1-yl}benzoate SMILES: [Na+].[Na+].[Na+].[O-]C(=O)C1=CC=CC=C1N\N=C1/C(=O)C(=CC2=CC(=CC=C12)S([O-])(=O)=O)S([O-])(=O)=O

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Specifications

PubChem CID	131850130
CAS	1836-22-2
Molecular Weight (g/mol)	518.35
MDL Number	MFCD00046379
SMILES	[Na+].[Na+].[Na+].[O-]C(=O)C1=CC=CC=C1N\N=C1/C(=O)C(=CC2=CC(=CC=C12)S([O-])(=O)=O)S([O-])(=O)=O
IUPAC Name	trisodium 2-{2-[(1Z)-2-oxo-3,6-disulfonato-1,2-dihydronaphthalen-1-ylidene]hydrazin-1-yl}benzoate
InChI Key	SJYYQLRKEKKFSX-NETMGOMMSA-K
Molecular Formula	C17H9N2Na3O9S2

3,504

2-(2-Hydroxyphenyl)benzothiazole 98.0+%, TCI America™

CAS: 3411-95-8 Molecular Formula: C13H9NOS Molecular Weight (g/mol): 227.28 MDL Number: MFCD00022869 InChI Key: NSDGEQWRYXOZLN-UKTHLTGXSA-N Synonym: phenol, o-2-benzothiazolyl,2-2-hydroxyphenyl benzothiazole,o-2-benzothiazolyl phenol,phenol, 2-2-benzothiazolyl,2-2-benzothiazolyl phenol,2-o-hydroxyphenyl benzothiazole,2-2'-hydroxyphenyl benzothiazole,2-1,3-benzothiazol-2-yl phenol,6z-6-3h-1,3-benzothiazol-2-ylidene cyclohexa-2,4-dien-1-one,mvvgspcxhrfddr-uhfffaoysa-n PubChem CID: 5376551 IUPAC Name: 6-[(2E)-2,3-dihydro-1,3-benzothiazol-2-ylidene]cyclohexa-2,4-dien-1-one SMILES: O=C1C=CC=C\C1=C1\NC2=CC=CC=C2S1

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Specifications

PubChem CID	5376551
CAS	3411-95-8
Molecular Weight (g/mol)	227.28
MDL Number	MFCD00022869
SMILES	O=C1C=CC=C\C1=C1\NC2=CC=CC=C2S1
Synonym	phenol, o-2-benzothiazolyl,2-2-hydroxyphenyl benzothiazole,o-2-benzothiazolyl phenol,phenol, 2-2-benzothiazolyl,2-2-benzothiazolyl phenol,2-o-hydroxyphenyl benzothiazole,2-2'-hydroxyphenyl benzothiazole,2-1,3-benzothiazol-2-yl phenol,6z-6-3h-1,3-benzothiazol-2-ylidene cyclohexa-2,4-dien-1-one,mvvgspcxhrfddr-uhfffaoysa-n
IUPAC Name	6-[(2E)-2,3-dihydro-1,3-benzothiazol-2-ylidene]cyclohexa-2,4-dien-1-one
InChI Key	NSDGEQWRYXOZLN-UKTHLTGXSA-N
Molecular Formula	C13H9NOS

3,505

1-Acetoxy-5-bromo-1,2-benziodoxol-3(1H)-one 97.0+%, TCI America™

CAS: 1580548-81-7 Molecular Formula: C9H6BrIO4 Molecular Weight (g/mol): 384.951 InChI Key: QPZPQFBDNWCSGA-UHFFFAOYSA-N Synonym: ABBX PubChem CID: 91972141 IUPAC Name: (5-bromo-3-oxo-1$l^{3},2-benziodoxol-1-yl) acetate SMILES: CC(=O)OI1C2=C(C=C(C=C2)Br)C(=O)O1

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Specifications

PubChem CID	91972141
CAS	1580548-81-7
Molecular Weight (g/mol)	384.951
SMILES	CC(=O)OI1C2=C(C=C(C=C2)Br)C(=O)O1
Synonym	ABBX
IUPAC Name	(5-bromo-3-oxo-1$l^{3},2-benziodoxol-1-yl) acetate
InChI Key	QPZPQFBDNWCSGA-UHFFFAOYSA-N
Molecular Formula	C9H6BrIO4

3,506

(R)-2-Octyl 4-[4-(Hexyloxy)benzoyloxy]benzoate 98.0+%, TCI America™

CAS: 133676-09-2 Molecular Formula: C28H38O5 Molecular Weight (g/mol): 454.607 MDL Number: MFCD21603881 InChI Key: PLGPDUBTEHIWRH-JOCHJYFZSA-N Synonym: 4-[4-(Hexyloxy)benzoyloxy]benzoic Acid (R)-2-Octyl Ester PubChem CID: 60123248 IUPAC Name: [4-[(2R)-octan-2-yl]oxycarbonylphenyl] 4-hexoxybenzoate SMILES: CCCCCCC(C)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCC

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Specifications

PubChem CID	60123248
CAS	133676-09-2
Molecular Weight (g/mol)	454.607
MDL Number	MFCD21603881
SMILES	CCCCCCC(C)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCC
Synonym	4-[4-(Hexyloxy)benzoyloxy]benzoic Acid (R)-2-Octyl Ester
IUPAC Name	[4-[(2R)-octan-2-yl]oxycarbonylphenyl] 4-hexoxybenzoate
InChI Key	PLGPDUBTEHIWRH-JOCHJYFZSA-N
Molecular Formula	C28H38O5

3,507

N-Chloroacetyl-DL-alanine 98.0+%, TCI America™

CAS: 1190-32-5 Molecular Formula: C5H8ClNO3 Molecular Weight (g/mol): 165.573 MDL Number: MFCD00020401 InChI Key: HTAQFYLADZNZHZ-UHFFFAOYSA-N PubChem CID: 102573 IUPAC Name: 2-[(2-chloroacetyl)amino]propanoic acid SMILES: CC(C(=O)O)NC(=O)CCl

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Specifications

PubChem CID	102573
CAS	1190-32-5
Molecular Weight (g/mol)	165.573
MDL Number	MFCD00020401
SMILES	CC(C(=O)O)NC(=O)CCl
IUPAC Name	2-[(2-chloroacetyl)amino]propanoic acid
InChI Key	HTAQFYLADZNZHZ-UHFFFAOYSA-N
Molecular Formula	C5H8ClNO3

3,508

2,8-Diiododibenzothiophene 97.0+%, TCI America™

CAS: 105404-91-9 Molecular Formula: C12H6I2S Molecular Weight (g/mol): 436.049 InChI Key: JUMCSMONVKDUIB-UHFFFAOYSA-N PubChem CID: 13530940 IUPAC Name: 2,8-diiododibenzothiophene SMILES: C1=CC2=C(C=C1I)C3=C(S2)C=CC(=C3)I

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Specifications

PubChem CID	13530940
CAS	105404-91-9
Molecular Weight (g/mol)	436.049
SMILES	C1=CC2=C(C=C1I)C3=C(S2)C=CC(=C3)I
IUPAC Name	2,8-diiododibenzothiophene
InChI Key	JUMCSMONVKDUIB-UHFFFAOYSA-N
Molecular Formula	C12H6I2S

3,509

L-Leucine Ethyl Ester Hydrochloride 99.0+%, TCI America™

CAS: 2743-40-0 Molecular Formula: C8H17NO2 Molecular Weight (g/mol): 159.23 MDL Number: MFCD00034879 InChI Key: QIGLJVBIRIXQRN-ZETCQYMHSA-N Synonym: l-leucine ethyl ester hydrochloride,ethyl l-leucinate hydrochloride,h-leu-oet.hcl,s-ethyl 2-amino-4-methylpentanoate hydrochloride,l-leucine ethyl ester hcl,h-leu-oet inverted exclamation mark currencyhcl,leucine, ethyl ester hydrochloride,h-leu-oet,leucine ethyl ester hydrochloride,leu-oet hcl PubChem CID: 11658447 IUPAC Name: ethyl (2S)-2-amino-4-methylpentanoate SMILES: CCOC(=O)[C@@H](N)CC(C)C

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Specifications

PubChem CID	11658447
CAS	2743-40-0
Molecular Weight (g/mol)	159.23
MDL Number	MFCD00034879
SMILES	CCOC(=O)[C@@H](N)CC(C)C
Synonym	l-leucine ethyl ester hydrochloride,ethyl l-leucinate hydrochloride,h-leu-oet.hcl,s-ethyl 2-amino-4-methylpentanoate hydrochloride,l-leucine ethyl ester hcl,h-leu-oet inverted exclamation mark currencyhcl,leucine, ethyl ester hydrochloride,h-leu-oet,leucine ethyl ester hydrochloride,leu-oet hcl
IUPAC Name	ethyl (2S)-2-amino-4-methylpentanoate
InChI Key	QIGLJVBIRIXQRN-ZETCQYMHSA-N
Molecular Formula	C8H17NO2

3,510

Isopropyl Phosphate (Mono- and Di- Ester mixture), TCI America™

CAS: 52933-00-3 Molecular Formula: C9H24O8P2 Molecular Weight (g/mol): 322.23 MDL Number: MFCD00135965 InChI Key: RTIXFJOJNSXSOB-UHFFFAOYSA-N Synonym: phosphoric acid isopropyl ester,isopropyl phosphate mono-and di-ester mixture PubChem CID: 44630356

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Specifications

PubChem CID	44630356
CAS	52933-00-3
Molecular Weight (g/mol)	322.23
MDL Number	MFCD00135965
Synonym	phosphoric acid isopropyl ester,isopropyl phosphate mono-and di-ester mixture
InChI Key	RTIXFJOJNSXSOB-UHFFFAOYSA-N
Molecular Formula	C9H24O8P2

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Unclassified Organic Compounds

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