Unclassified Organic Compounds

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

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3,781 – 3,795 of 207,496 results

3,781

3,3-Dimethylheptane 98.0+%, TCI America™

CAS: 4032-86-4 Molecular Formula: C9H20 Molecular Weight (g/mol): 128.259 MDL Number: MFCD00048811 InChI Key: BVAKDOXCVSMKHE-UHFFFAOYSA-N Synonym: heptane, 3,3-dimethyl,3,3-dimethylheptane,acmc-1aeuh,3,3-dimethyl heptane PubChem CID: 520991 IUPAC Name: 3,3-dimethylheptane SMILES: CCCCC(C)(C)CC

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Specifications

PubChem CID	520991
CAS	4032-86-4
Molecular Weight (g/mol)	128.259
MDL Number	MFCD00048811
SMILES	CCCCC(C)(C)CC
Synonym	heptane, 3,3-dimethyl,3,3-dimethylheptane,acmc-1aeuh,3,3-dimethyl heptane
IUPAC Name	3,3-dimethylheptane
InChI Key	BVAKDOXCVSMKHE-UHFFFAOYSA-N
Molecular Formula	C9H20

3,782

2,6-Dimethyl-1,4-benzoquinone 98.0+%, TCI America™

CAS: 527-61-7 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00001605 InChI Key: SENUUPBBLQWHMF-UHFFFAOYSA-N Synonym: 2,6-dimethylbenzoquinone,2,6-dimethyl-1,4-benzoquinone,2,6-dimethyl-p-benzoquinone,m-xyloquinone,2,6-xyloquinone,2,6-dimethylquinone,2,5-cyclohexadiene-1,4-dione, 2,6-dimethyl,3,5-dimethylbenzoquinone,p-benzoquinone, 2,6-dimethyl,2,6-dimethyl-1,4-quinone PubChem CID: 68241 IUPAC Name: 2,6-dimethylcyclohexa-2,5-diene-1,4-dione SMILES: CC1=CC(=O)C=C(C1=O)C

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Specifications

PubChem CID	68241
CAS	527-61-7
Molecular Weight (g/mol)	136.15
MDL Number	MFCD00001605
SMILES	CC1=CC(=O)C=C(C1=O)C
Synonym	2,6-dimethylbenzoquinone,2,6-dimethyl-1,4-benzoquinone,2,6-dimethyl-p-benzoquinone,m-xyloquinone,2,6-xyloquinone,2,6-dimethylquinone,2,5-cyclohexadiene-1,4-dione, 2,6-dimethyl,3,5-dimethylbenzoquinone,p-benzoquinone, 2,6-dimethyl,2,6-dimethyl-1,4-quinone
IUPAC Name	2,6-dimethylcyclohexa-2,5-diene-1,4-dione
InChI Key	SENUUPBBLQWHMF-UHFFFAOYSA-N
Molecular Formula	C8H8O2

3,783

Hexafluorocyclotriphosphazene 97.0+%, TCI America™

CAS: 15599-91-4 Molecular Formula: F6N3P3 Molecular Weight (g/mol): 248.93 MDL Number: MFCD00192400 InChI Key: DKQPXAWBVGCNHG-UHFFFAOYSA-N PubChem CID: 139958 IUPAC Name: hexafluoro-1,3,5,2λ⁵,4λ⁵,6λ⁵-triazatriphosphinine SMILES: FP1(F)=NP(F)(F)=NP(F)(F)=N1

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Specifications

PubChem CID	139958
CAS	15599-91-4
Molecular Weight (g/mol)	248.93
MDL Number	MFCD00192400
SMILES	FP1(F)=NP(F)(F)=NP(F)(F)=N1
IUPAC Name	hexafluoro-1,3,5,2λ⁵,4λ⁵,6λ⁵-triazatriphosphinine
InChI Key	DKQPXAWBVGCNHG-UHFFFAOYSA-N
Molecular Formula	F6N3P3

3,784

Diethyl Acetamidomalonate 98.0+%, TCI America™

CAS: 1068-90-2 Molecular Formula: C9H15NO5 Molecular Weight (g/mol): 217.221 MDL Number: MFCD00009146 InChI Key: ISOLMABRZPQKOV-UHFFFAOYSA-N Synonym: diethyl acetamidomalonate,diethyl 2-acetamidomalonate,diethyl acetaminomalonate,diethyl acetylaminomalonate,acetamidomalonic acid diethyl ester,2-acetylaminomalonic acid diethyl ester,1,3-diethyl 2-acetamidopropanedioate,diethyl acetylamino malonate,propanedioic acid, acetylamino-, diethyl ester,acetylamino propanedioic acid diethyl ester PubChem CID: 14041 IUPAC Name: diethyl 2-acetamidopropanedioate SMILES: CCOC(=O)C(C(=O)OCC)NC(=O)C

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Specifications

PubChem CID	14041
CAS	1068-90-2
Molecular Weight (g/mol)	217.221
MDL Number	MFCD00009146
SMILES	CCOC(=O)C(C(=O)OCC)NC(=O)C
Synonym	diethyl acetamidomalonate,diethyl 2-acetamidomalonate,diethyl acetaminomalonate,diethyl acetylaminomalonate,acetamidomalonic acid diethyl ester,2-acetylaminomalonic acid diethyl ester,1,3-diethyl 2-acetamidopropanedioate,diethyl acetylamino malonate,propanedioic acid, acetylamino-, diethyl ester,acetylamino propanedioic acid diethyl ester
IUPAC Name	diethyl 2-acetamidopropanedioate
InChI Key	ISOLMABRZPQKOV-UHFFFAOYSA-N
Molecular Formula	C9H15NO5

3,785

4-(Hydroxymethyl)cyclohexanol (cis- and trans- mixture) 98.0+%, TCI America™

CAS: 33893-85-5 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 InChI Key: VGRZISGVNOKTQU-UHFFFAOYSA-N PubChem CID: 12892866 IUPAC Name: 4-(hydroxymethyl)cyclohexan-1-ol SMILES: C1CC(CCC1CO)O

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Specifications

PubChem CID	12892866
CAS	33893-85-5
Molecular Weight (g/mol)	130.187
SMILES	C1CC(CCC1CO)O
IUPAC Name	4-(hydroxymethyl)cyclohexan-1-ol
InChI Key	VGRZISGVNOKTQU-UHFFFAOYSA-N
Molecular Formula	C7H14O2

3,786

Nalpha-Carbobenzoxy-L-histidine 99.0+%, TCI America™

CAS: 14997-58-1 Molecular Formula: C14H15N3O4 Molecular Weight (g/mol): 289.291 MDL Number: MFCD00065960 InChI Key: WCOJOHPAKJFUDF-LBPRGKRZSA-N Synonym: z-his-oh,n-cbz-l-histidine,cbz-his-oh,cbz-l-his-oh,nalpha-cbz-l-histidine,cbz-histidine,nalpha-carbobenzoxy-l-histidine,l-histidine, n-phenylmethoxy carbonyl,z-l-histidine,s-2-benzyloxy carbonyl amino-3-1h-imidazol-4-yl propanoic acid PubChem CID: 736313 IUPAC Name: (2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoic acid SMILES: C1=CC=C(C=C1)COC(=O)NC(CC2=CN=CN2)C(=O)O

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Specifications

PubChem CID	736313
CAS	14997-58-1
Molecular Weight (g/mol)	289.291
MDL Number	MFCD00065960
SMILES	C1=CC=C(C=C1)COC(=O)NC(CC2=CN=CN2)C(=O)O
Synonym	z-his-oh,n-cbz-l-histidine,cbz-his-oh,cbz-l-his-oh,nalpha-cbz-l-histidine,cbz-histidine,nalpha-carbobenzoxy-l-histidine,l-histidine, n-phenylmethoxy carbonyl,z-l-histidine,s-2-benzyloxy carbonyl amino-3-1h-imidazol-4-yl propanoic acid
IUPAC Name	(2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
InChI Key	WCOJOHPAKJFUDF-LBPRGKRZSA-N
Molecular Formula	C14H15N3O4

3,787

2,2,4-Trimethylcyclopentanone 95.0+%, TCI America™

CAS: 28056-54-4 Molecular Formula: C8H14O Molecular Weight (g/mol): 126.199 MDL Number: MFCD00019312 InChI Key: PJXIBUIXCXSNCM-UHFFFAOYSA-N PubChem CID: 119632 IUPAC Name: 2,2,4-trimethylcyclopentan-1-one SMILES: CC1CC(=O)C(C1)(C)C

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Specifications

PubChem CID	119632
CAS	28056-54-4
Molecular Weight (g/mol)	126.199
MDL Number	MFCD00019312
SMILES	CC1CC(=O)C(C1)(C)C
IUPAC Name	2,2,4-trimethylcyclopentan-1-one
InChI Key	PJXIBUIXCXSNCM-UHFFFAOYSA-N
Molecular Formula	C8H14O

3,788

Heneicosane 99.5+%, TCI America™

CAS: 629-94-7 Molecular Formula: C21H44 Molecular Weight (g/mol): 296.583 MDL Number: MFCD00009346 InChI Key: FNAZRRHPUDJQCJ-UHFFFAOYSA-N Synonym: heneicosane,n-heneicosane,unii-i93s5u5dmp,eicosane, methyl,i93s5u5dmp,ch3-ch2 19-ch3,henicosan,acmc-1b9xj PubChem CID: 12403 ChEBI: CHEBI:32931 IUPAC Name: henicosane SMILES: CCCCCCCCCCCCCCCCCCCCC

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Specifications

PubChem CID	12403
CAS	629-94-7
Molecular Weight (g/mol)	296.583
ChEBI	CHEBI:32931
MDL Number	MFCD00009346
SMILES	CCCCCCCCCCCCCCCCCCCCC
Synonym	heneicosane,n-heneicosane,unii-i93s5u5dmp,eicosane, methyl,i93s5u5dmp,ch3-ch2 19-ch3,henicosan,acmc-1b9xj
IUPAC Name	henicosane
InChI Key	FNAZRRHPUDJQCJ-UHFFFAOYSA-N
Molecular Formula	C21H44

3,789

L-Tyrosine Methyl Ester Hydrochloride 98.0+%, TCI America™

CAS: 3417-91-2 Molecular Formula: C10H14ClNO3 Molecular Weight (g/mol): 231.68 MDL Number: MFCD00012607 InChI Key: VXYFARNRGZWHTJ-MVRPGTNWNA-N Synonym: l-tyrosine methyl ester hydrochloride,h-tyr-ome.hcl,methyl l-tyrosinate hydrochloride,h-tyr-ome hcl,methyl tyrosinate hydrochloride,unii-w42m0mi271,tyrosine methyl ester hydrochloride,methyl l-tyrosinate hcl,s-methyl 2-amino-3-4-hydroxyphenyl propanoate hydrochloride,s-2-amino-3-4-hydroxy-phenyl-propionic acid methyl ester hydrochloride PubChem CID: 76956 IUPAC Name: methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate hydrochloride SMILES: Cl.COC(=O)[C@@H](N)CC1=CC=C(O)C=C1

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Specifications

PubChem CID	76956
CAS	3417-91-2
Molecular Weight (g/mol)	231.68
MDL Number	MFCD00012607
SMILES	Cl.COC(=O)[C@@H](N)CC1=CC=C(O)C=C1
Synonym	l-tyrosine methyl ester hydrochloride,h-tyr-ome.hcl,methyl l-tyrosinate hydrochloride,h-tyr-ome hcl,methyl tyrosinate hydrochloride,unii-w42m0mi271,tyrosine methyl ester hydrochloride,methyl l-tyrosinate hcl,s-methyl 2-amino-3-4-hydroxyphenyl propanoate hydrochloride,s-2-amino-3-4-hydroxy-phenyl-propionic acid methyl ester hydrochloride
IUPAC Name	methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate hydrochloride
InChI Key	VXYFARNRGZWHTJ-MVRPGTNWNA-N
Molecular Formula	C10H14ClNO3

3,790

Disodium Pamidronate Hydrate 97.0+%, TCI America™

CAS: 57248-88-1 Molecular Formula: C3H9NNa2O7P2 Molecular Weight (g/mol): 279.03 MDL Number: MFCD00867072,MFCD11045314,MFCD00168777 InChI Key: CEYUIFJWVHOCPP-UHFFFAOYSA-L Synonym: Pamidronic Acid Disodium Salt, Disodium 3-Amino-1-hydroxypropane-1,1-diphosphonate PubChem CID: 131842120 IUPAC Name: disodium hydrogen (3-amino-1-hydrogen phosphonato-1-hydroxypropyl)phosphonate SMILES: [Na+].[Na+].NCCC(O)(P(O)([O-])=O)P(O)([O-])=O

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Specifications

PubChem CID	131842120
CAS	57248-88-1
Molecular Weight (g/mol)	279.03
MDL Number	MFCD00867072,MFCD11045314,MFCD00168777
SMILES	[Na+].[Na+].NCCC(O)(P(O)([O-])=O)P(O)([O-])=O
Synonym	Pamidronic Acid Disodium Salt, Disodium 3-Amino-1-hydroxypropane-1,1-diphosphonate
IUPAC Name	disodium hydrogen (3-amino-1-hydrogen phosphonato-1-hydroxypropyl)phosphonate
InChI Key	CEYUIFJWVHOCPP-UHFFFAOYSA-L
Molecular Formula	C3H9NNa2O7P2

3,791

Cellotetraose 94.0+%, TCI America™

CAS: 38819-01-1 Molecular Formula: C24H42O21 Molecular Weight (g/mol): 666.579 MDL Number: MFCD00079079 InChI Key: LUEWUZLMQUOBSB-HQXNUCTASA-N Synonym: cellotetraose PubChem CID: 131674892 IUPAC Name: (2S,3S,5S)-2-[(3S,5S,6S)-6-[(3S,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(3S,5S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol SMILES: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)O)CO)CO)CO)O)O)O)O

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Specifications

PubChem CID	131674892
CAS	38819-01-1
Molecular Weight (g/mol)	666.579
MDL Number	MFCD00079079
SMILES	C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)O)CO)CO)CO)O)O)O)O
Synonym	cellotetraose
IUPAC Name	(2S,3S,5S)-2-[(3S,5S,6S)-6-[(3S,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(3S,5S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI Key	LUEWUZLMQUOBSB-HQXNUCTASA-N
Molecular Formula	C24H42O21

3,792

1,3-Dibromo-5-hexylbenzene 95.0+%, TCI America™

CAS: 75894-97-2 Molecular Formula: C12H16Br2 Molecular Weight (g/mol): 320.068 InChI Key: LAKHKLCGQAELGL-UHFFFAOYSA-N PubChem CID: 85996911 IUPAC Name: 1,3-dibromo-5-hexylbenzene SMILES: CCCCCCC1=CC(=CC(=C1)Br)Br

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Specifications

PubChem CID	85996911
CAS	75894-97-2
Molecular Weight (g/mol)	320.068
SMILES	CCCCCCC1=CC(=CC(=C1)Br)Br
IUPAC Name	1,3-dibromo-5-hexylbenzene
InChI Key	LAKHKLCGQAELGL-UHFFFAOYSA-N
Molecular Formula	C12H16Br2

3,793

N-Carbobenzoxy-L-phenylalanine 98.0+%, TCI America™

CAS: 1161-13-3 Molecular Formula: C17H17NO4 Molecular Weight (g/mol): 299.33 MDL Number: MFCD00020418 InChI Key: RRONHWAVOYADJL-HNNXBMFYSA-N Synonym: z-phe-oh,n-cbz-l-phenylalanine,carbobenzoxyphenylalanine,cbz-phe-oh,n-carbobenzoxy-l-phenylalanine,carbobenzoxy-l-phenylalanine,z-l-phenylalanine,benzyloxycarbonyl phenylalanine,n-carbobenzyloxy-l-phenylalanine PubChem CID: 70878 IUPAC Name: (2S)-2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanoic acid SMILES: OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1

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Specifications

PubChem CID	70878
CAS	1161-13-3
Molecular Weight (g/mol)	299.33
MDL Number	MFCD00020418
SMILES	OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1
Synonym	z-phe-oh,n-cbz-l-phenylalanine,carbobenzoxyphenylalanine,cbz-phe-oh,n-carbobenzoxy-l-phenylalanine,carbobenzoxy-l-phenylalanine,z-l-phenylalanine,benzyloxycarbonyl phenylalanine,n-carbobenzyloxy-l-phenylalanine
IUPAC Name	(2S)-2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanoic acid
InChI Key	RRONHWAVOYADJL-HNNXBMFYSA-N
Molecular Formula	C17H17NO4

3,794

Sodium 2-Amino-4-chloro-5-methylbenzenesulfonate 98.0+%, TCI America™

CAS: 6627-59-4 Molecular Formula: C7H8ClNNaO3S Molecular Weight (g/mol): 244.645 MDL Number: MFCD00070551 InChI Key: OSSZFTJQTIEJDM-UHFFFAOYSA-N Synonym: 5-Chloro-4-methylaniline-2-sulfonic Acid Sodium Salt, 5-Chloro-p-toluidine-2-sulfonic Acid Sodium Salt, Sodium 4-Amino-2-chlorotoluene-5-sulfonate, 4-Amino-2-chlorotoluene-5-sulfonic Acid Sodium Salt, Sodium 5-Chloro-4-methylaniline-2-sulfonate, Sodium 5- PubChem CID: 24187155 IUPAC Name: 2-amino-4-chloro-5-methylbenzenesulfonic acid;sodium SMILES: CC1=CC(=C(C=C1Cl)N)S(=O)(=O)O.[Na]

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Specifications

PubChem CID	24187155
CAS	6627-59-4
Molecular Weight (g/mol)	244.645
MDL Number	MFCD00070551
SMILES	CC1=CC(=C(C=C1Cl)N)S(=O)(=O)O.[Na]
Synonym	5-Chloro-4-methylaniline-2-sulfonic Acid Sodium Salt, 5-Chloro-p-toluidine-2-sulfonic Acid Sodium Salt, Sodium 4-Amino-2-chlorotoluene-5-sulfonate, 4-Amino-2-chlorotoluene-5-sulfonic Acid Sodium Salt, Sodium 5-Chloro-4-methylaniline-2-sulfonate, Sodium 5-
IUPAC Name	2-amino-4-chloro-5-methylbenzenesulfonic acid;sodium
InChI Key	OSSZFTJQTIEJDM-UHFFFAOYSA-N
Molecular Formula	C7H8ClNNaO3S

3,795

4-Ethoxychrysoidine Hydrochloride 95.0+%, TCI America™

CAS: 2313-87-3 Molecular Formula: C14H17ClN4O Molecular Weight (g/mol): 292.77 MDL Number: MFCD00042023 InChI Key: IWHXNINOLLNFGP-UHFFFAOYSA-N Synonym: 4-(4-Ethoxyphenylazo)-1,3-phenylenediamine Monohydrochloride, Ethoxy Red PubChem CID: 16836 IUPAC Name: hydrogen 4-[2-(4-ethoxyphenyl)diazen-1-yl]benzene-1,3-diamine chloride SMILES: [H+].[Cl-].CCOC1=CC=C(C=C1)N=NC1=CC=C(N)C=C1N

Pricing & Availability
Specifications

PubChem CID	16836
CAS	2313-87-3
Molecular Weight (g/mol)	292.77
MDL Number	MFCD00042023
SMILES	[H+].[Cl-].CCOC1=CC=C(C=C1)N=NC1=CC=C(N)C=C1N
Synonym	4-(4-Ethoxyphenylazo)-1,3-phenylenediamine Monohydrochloride, Ethoxy Red
IUPAC Name	hydrogen 4-[2-(4-ethoxyphenyl)diazen-1-yl]benzene-1,3-diamine chloride
InChI Key	IWHXNINOLLNFGP-UHFFFAOYSA-N
Molecular Formula	C14H17ClN4O

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