Unclassified Organic Compounds

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

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4,471 – 4,485 of 208,671 results

4,471

[5]Cycloparaphenylene 95.0+%, TCI America™

CAS: 96100-94-6 Molecular Formula: C30H20 Molecular Weight (g/mol): 380.49 InChI Key: JPDIIJOQNLNRQS-UHFFFAOYSA-N Synonym: [5]CPP PubChem CID: 131637028 SMILES: C1CC2=C=C=C1C3=C=C=C(CC3)C4=C=C=C(CC4)C5=CC=C(C=C5)C6=C=C=C2CC6

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PubChem CID	131637028
CAS	96100-94-6
Molecular Weight (g/mol)	380.49
SMILES	C1CC2=C=C=C1C3=C=C=C(CC3)C4=C=C=C(CC4)C5=CC=C(C=C5)C6=C=C=C2CC6
Synonym	[5]CPP
InChI Key	JPDIIJOQNLNRQS-UHFFFAOYSA-N
Molecular Formula	C30H20

4,472

4,4'-Diamino-2,2'-bipyridyl 98.0+%, TCI America™

CAS: 18511-69-8 Molecular Formula: C10H10N4 Molecular Weight (g/mol): 186.218 MDL Number: MFCD08704188 InChI Key: WTHJTVKLMSJXEV-UHFFFAOYSA-N Synonym: 4,4′C-Diamino-2,2′C-bipyridine PubChem CID: 191515 IUPAC Name: 2-(4-aminopyridin-2-yl)pyridin-4-amine SMILES: C1=CN=C(C=C1N)C2=NC=CC(=C2)N

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Specifications

PubChem CID	191515
CAS	18511-69-8
Molecular Weight (g/mol)	186.218
MDL Number	MFCD08704188
SMILES	C1=CN=C(C=C1N)C2=NC=CC(=C2)N
Synonym	4,4′C-Diamino-2,2′C-bipyridine
IUPAC Name	2-(4-aminopyridin-2-yl)pyridin-4-amine
InChI Key	WTHJTVKLMSJXEV-UHFFFAOYSA-N
Molecular Formula	C10H10N4

4,473

N,N-Dimethylglycine 98.0+%, TCI America™

CAS: 1118-68-9 Molecular Formula: C4H9NO2 Molecular Weight (g/mol): 103.121 MDL Number: MFCD00004283 InChI Key: FFDGPVCHZBVARC-UHFFFAOYSA-N Synonym: n,n-dimethylglycine,dimethylglycine,2-dimethylamino acetic acid,dimethylamino acetic acid,n,n-dimethylaminoacetic acid,glycine, n,n-dimethyl,n-methylsarcosine,n,n-dimethyl glycine,unii-7797m4cppa,dmg PubChem CID: 673 ChEBI: CHEBI:17724 IUPAC Name: 2-(dimethylamino)acetic acid SMILES: CN(C)CC(=O)O

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Specifications

PubChem CID	673
CAS	1118-68-9
Molecular Weight (g/mol)	103.121
ChEBI	CHEBI:17724
MDL Number	MFCD00004283
SMILES	CN(C)CC(=O)O
Synonym	n,n-dimethylglycine,dimethylglycine,2-dimethylamino acetic acid,dimethylamino acetic acid,n,n-dimethylaminoacetic acid,glycine, n,n-dimethyl,n-methylsarcosine,n,n-dimethyl glycine,unii-7797m4cppa,dmg
IUPAC Name	2-(dimethylamino)acetic acid
InChI Key	FFDGPVCHZBVARC-UHFFFAOYSA-N
Molecular Formula	C4H9NO2

4,474

Oxytetracycline Hydrochloride 95.0+%, TCI America™

CAS: 2058-46-0 Molecular Formula: C22H25ClN2O9 Molecular Weight (g/mol): 496.897 MDL Number: MFCD00135815 InChI Key: UTAHTGPLLFLKGW-IFLJXUKPSA-N PubChem CID: 121235537 IUPAC Name: (4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,11,12a-hexahydroxy-6-methyl-1,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride SMILES: CC1(C2C(C3C(C(=C(C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)C(=O)N)O)N(C)C)O)O.Cl

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Specifications

PubChem CID	121235537
CAS	2058-46-0
Molecular Weight (g/mol)	496.897
MDL Number	MFCD00135815
SMILES	CC1(C2C(C3C(C(=C(C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)C(=O)N)O)N(C)C)O)O.Cl
IUPAC Name	(4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,11,12a-hexahydroxy-6-methyl-1,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride
InChI Key	UTAHTGPLLFLKGW-IFLJXUKPSA-N
Molecular Formula	C22H25ClN2O9

4,475

7-Hydroxy-5-methyl-2-methylthio-[1,2,4]triazolo[1,5-a]pyrimidine 98.0+%, TCI America™

CAS: 40775-78-8 Molecular Formula: C7H8N4OS Molecular Weight (g/mol): 196.228 MDL Number: MFCD00186154 InChI Key: DITIBSDLGMCMTP-UHFFFAOYSA-N Synonym: 4-Hydroxy-6-methyl-2-methylmercapto-1,3,3a,7-tetraazaindene, 5-Methyl-2-methylthio-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol, 7-Hydroxy-5-methyl-2-methylthio-s-triazolo[1,5-a]pyrimidine PubChem CID: 101400 IUPAC Name: 5-methyl-2-methylsulfanyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one SMILES: CC1=CC(=O)N2C(=N1)N=C(N2)SC

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Specifications

PubChem CID	101400
CAS	40775-78-8
Molecular Weight (g/mol)	196.228
MDL Number	MFCD00186154
SMILES	CC1=CC(=O)N2C(=N1)N=C(N2)SC
Synonym	4-Hydroxy-6-methyl-2-methylmercapto-1,3,3a,7-tetraazaindene, 5-Methyl-2-methylthio-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol, 7-Hydroxy-5-methyl-2-methylthio-s-triazolo[1,5-a]pyrimidine
IUPAC Name	5-methyl-2-methylsulfanyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
InChI Key	DITIBSDLGMCMTP-UHFFFAOYSA-N
Molecular Formula	C7H8N4OS

4,476

5,10,15,20-Tetrakis(4-aminophenyl)porphyrin 95.0+%, TCI America™

CAS: 22112-84-1 Molecular Formula: C44H34N8 Molecular Weight (g/mol): 674.81 MDL Number: MFCD00191497 InChI Key: WLCKPHYUFDYULK-UHFFFAOYSA-N Synonym: 5,10,15,20-Tetrakis(4-aminophenyl)-21H,23H-porphine PubChem CID: 168023 IUPAC Name: 4-[7,12,17-tris(4-aminophenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3,5,7,9,11(23),12,14,16(22),17,19-undecaen-2-yl]aniline SMILES: NC1=CC=C(C=C1)C1=C2NC(C=C2)=C(C2=NC(C=C2)=C(C2=NC(C=C2)=C(C2=CC=C1N2)C1=CC=C(N)C=C1)C1=CC=C(N)C=C1)C1=CC=C(N)C=C1

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Specifications

PubChem CID	168023
CAS	22112-84-1
Molecular Weight (g/mol)	674.81
MDL Number	MFCD00191497
SMILES	NC1=CC=C(C=C1)C1=C2NC(C=C2)=C(C2=NC(C=C2)=C(C2=NC(C=C2)=C(C2=CC=C1N2)C1=CC=C(N)C=C1)C1=CC=C(N)C=C1)C1=CC=C(N)C=C1
Synonym	5,10,15,20-Tetrakis(4-aminophenyl)-21H,23H-porphine
IUPAC Name	4-[7,12,17-tris(4-aminophenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3,5,7,9,11(23),12,14,16(22),17,19-undecaen-2-yl]aniline
InChI Key	WLCKPHYUFDYULK-UHFFFAOYSA-N
Molecular Formula	C44H34N8

4,477

Methyl L-Pyroglutamate 98.0+%, TCI America™

CAS: 4931-66-2 Molecular Formula: C17H14F3N3S2 Molecular Weight (g/mol): 381.44 MDL Number: MFCD00080931 InChI Key: JLGLYOGXDCENSE-UHFFFAOYSA-N Synonym: methyl l-pyroglutamate,methyl s-+-2-pyrrolidone-5-carboxylate,l-pyroglutamic acid methyl ester,methyl pyroglutamate,methyl 5-oxo-l-prolinate,s-methyl 5-oxopyrrolidine-2-carboxylate,proline, 5-oxo-, methyl ester,methyl 2s-5-oxopyrrolidine-2-carboxylate,h-pyr-ome,s-+-methyl 2-pyrrolidone-5-carboxylate PubChem CID: 78646 IUPAC Name: N'-methyl-N-[3-(trifluoromethyl)phenyl]{[(4-isothiocyanatophenyl)methyl]sulfanyl}methanimidamide SMILES: CN=C(NC1=CC=CC(=C1)C(F)(F)F)SCC1=CC=C(C=C1)N=C=S

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Specifications

PubChem CID	78646
CAS	4931-66-2
Molecular Weight (g/mol)	381.44
MDL Number	MFCD00080931
SMILES	CN=C(NC1=CC=CC(=C1)C(F)(F)F)SCC1=CC=C(C=C1)N=C=S
Synonym	methyl l-pyroglutamate,methyl s-+-2-pyrrolidone-5-carboxylate,l-pyroglutamic acid methyl ester,methyl pyroglutamate,methyl 5-oxo-l-prolinate,s-methyl 5-oxopyrrolidine-2-carboxylate,proline, 5-oxo-, methyl ester,methyl 2s-5-oxopyrrolidine-2-carboxylate,h-pyr-ome,s-+-methyl 2-pyrrolidone-5-carboxylate
IUPAC Name	N'-methyl-N-[3-(trifluoromethyl)phenyl]{[(4-isothiocyanatophenyl)methyl]sulfanyl}methanimidamide
InChI Key	JLGLYOGXDCENSE-UHFFFAOYSA-N
Molecular Formula	C17H14F3N3S2

4,478

Methotrexate Hydrate 98.0+%, TCI America™

CAS: 59-05-2 Molecular Formula: C20H22N8O5 Molecular Weight (g/mol): 454.447 MDL Number: MFCD00150847 InChI Key: FBOZXECLQNJBKD-ZDUSSCGKSA-N Synonym: methotrexate,abitrexate,rheumatrex,amethopterin,mexate,metatrexan,hdmtx,trexall,methylaminopterinum,antifolan PubChem CID: 126941 ChEBI: CHEBI:44185 IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

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Specifications

PubChem CID	126941
CAS	59-05-2
Molecular Weight (g/mol)	454.447
ChEBI	CHEBI:44185
MDL Number	MFCD00150847
SMILES	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
Synonym	methotrexate,abitrexate,rheumatrex,amethopterin,mexate,metatrexan,hdmtx,trexall,methylaminopterinum,antifolan
IUPAC Name	(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
InChI Key	FBOZXECLQNJBKD-ZDUSSCGKSA-N
Molecular Formula	C20H22N8O5

4,479

L-Pipecolic Acid 98.0+%, TCI America™

CAS: 3105-95-1 Molecular Formula: C6H11NO2 Molecular Weight (g/mol): 129.16 MDL Number: MFCD00005981 InChI Key: HXEACLLIILLPRG-UHFFFAOYNA-N Synonym: l-pipecolic acid,s-piperidine-2-carboxylic acid,l-homoproline,h-hopro-oh,l-pipecolinic acid,l-pipecolate,2s-piperidine-2-carboxylic acid,s-pipecolic acid,l--pipecolinic acid,l-piperidine-2-carboxylic acid PubChem CID: 439227 ChEBI: CHEBI:30913 IUPAC Name: piperidine-2-carboxylic acid SMILES: OC(=O)C1CCCCN1

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Specifications

PubChem CID	439227
CAS	3105-95-1
Molecular Weight (g/mol)	129.16
ChEBI	CHEBI:30913
MDL Number	MFCD00005981
SMILES	OC(=O)C1CCCCN1
Synonym	l-pipecolic acid,s-piperidine-2-carboxylic acid,l-homoproline,h-hopro-oh,l-pipecolinic acid,l-pipecolate,2s-piperidine-2-carboxylic acid,s-pipecolic acid,l--pipecolinic acid,l-piperidine-2-carboxylic acid
IUPAC Name	piperidine-2-carboxylic acid
InChI Key	HXEACLLIILLPRG-UHFFFAOYNA-N
Molecular Formula	C6H11NO2

4,480

1-Butyl-1-methylpyrrolidinium Bis(fluorosulfonyl)imide 98.0+%, TCI America™

CAS: 1057745-51-3 Molecular Formula: C9H20F2N2O4S2 Molecular Weight (g/mol): 322.386 InChI Key: RWCIVBBAADOXMK-UHFFFAOYSA-N PubChem CID: 124219943 IUPAC Name: bis(fluorosulfonyl)azanide;1-butyl-1-methylpyrrolidin-1-ium SMILES: CCCC[N+]1(CCCC1)C.[N-](S(=O)(=O)F)S(=O)(=O)F

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Specifications

PubChem CID	124219943
CAS	1057745-51-3
Molecular Weight (g/mol)	322.386
SMILES	CCCC[N+]1(CCCC1)C.[N-](S(=O)(=O)F)S(=O)(=O)F
IUPAC Name	bis(fluorosulfonyl)azanide;1-butyl-1-methylpyrrolidin-1-ium
InChI Key	RWCIVBBAADOXMK-UHFFFAOYSA-N
Molecular Formula	C9H20F2N2O4S2

4,481

Ru(OAc)2[(R)-binap], TCI America™

CAS: 325146-81-4 Molecular Formula: C48H40O4P2Ru Molecular Weight (g/mol): 843.862 MDL Number: MFCD09753020 InChI Key: XANQJWCSQJDBEA-UHFFFAOYSA-N Synonym: Diacetato[(R)-(+)-2,2′C-bis(diphenylphosphino)-1,1′C-binaphthyl]ruthenium(II) PubChem CID: 118705203 IUPAC Name: acetic acid;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium SMILES: CC(=O)O.CC(=O)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.[Ru]

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Specifications

PubChem CID	118705203
CAS	325146-81-4
Molecular Weight (g/mol)	843.862
MDL Number	MFCD09753020
SMILES	CC(=O)O.CC(=O)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.[Ru]
Synonym	Diacetato[(R)-(+)-2,2′C-bis(diphenylphosphino)-1,1′C-binaphthyl]ruthenium(II)
IUPAC Name	acetic acid;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium
InChI Key	XANQJWCSQJDBEA-UHFFFAOYSA-N
Molecular Formula	C48H40O4P2Ru

4,482

Tetradecane 99.0+%, TCI America™

CAS: 629-59-4 Molecular Formula: C14H30 Molecular Weight (g/mol): 198.394 MDL Number: MFCD00008986 InChI Key: BGHCVCJVXZWKCC-UHFFFAOYSA-N Synonym: n-tetradecane,alkanes, c14-16,tridecane, methyl,ccris 715,tetradecane, analytical standard,alkanes, c14-30,myristyl,tetradekan,n-teradecane,olefine PubChem CID: 12389 ChEBI: CHEBI:41253 IUPAC Name: tetradecane SMILES: CCCCCCCCCCCCCC

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Specifications

PubChem CID	12389
CAS	629-59-4
Molecular Weight (g/mol)	198.394
ChEBI	CHEBI:41253
MDL Number	MFCD00008986
SMILES	CCCCCCCCCCCCCC
Synonym	n-tetradecane,alkanes, c14-16,tridecane, methyl,ccris 715,tetradecane, analytical standard,alkanes, c14-30,myristyl,tetradekan,n-teradecane,olefine
IUPAC Name	tetradecane
InChI Key	BGHCVCJVXZWKCC-UHFFFAOYSA-N
Molecular Formula	C14H30

4,483

2-Methyl-1,3-cyclopentanedione 97.0+%, TCI America™

CAS: 765-69-5 Molecular Formula: C6H8O2 Molecular Weight (g/mol): 112.128 MDL Number: MFCD00001406 InChI Key: HXZILEQYFQYQCE-UHFFFAOYSA-N Synonym: 2-methyl-1,3-cyclopentanedione,1,3-cyclopentanedione, 2-methyl,2-methyl-1,3-cyclopentadione,2-methyl-cyclopentane-1,3-dione,unii-c9lg5vp01c,c9lg5vp01c,methylcycle-d,pubchem2206,acmc-209p4n,benzil-related compound, 46 PubChem CID: 13005 IUPAC Name: 2-methylcyclopentane-1,3-dione SMILES: CC1C(=O)CCC1=O

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Specifications

PubChem CID	13005
CAS	765-69-5
Molecular Weight (g/mol)	112.128
MDL Number	MFCD00001406
SMILES	CC1C(=O)CCC1=O
Synonym	2-methyl-1,3-cyclopentanedione,1,3-cyclopentanedione, 2-methyl,2-methyl-1,3-cyclopentadione,2-methyl-cyclopentane-1,3-dione,unii-c9lg5vp01c,c9lg5vp01c,methylcycle-d,pubchem2206,acmc-209p4n,benzil-related compound, 46
IUPAC Name	2-methylcyclopentane-1,3-dione
InChI Key	HXZILEQYFQYQCE-UHFFFAOYSA-N
Molecular Formula	C6H8O2

4,484

2,2'-Methylenebis[6-(benzotriazol-2-yl)-4-tert-octylphenol] 98.0+%, TCI America™

CAS: 103597-45-1 Molecular Formula: C41H50N6O2 MDL Number: MFCD00192289 Synonym: Bis[3-(benzotriazol-2-yl)-2-hydroxy-5-tert-octylphenyl]methane

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Specifications

CAS	103597-45-1
MDL Number	MFCD00192289
Synonym	Bis[3-(benzotriazol-2-yl)-2-hydroxy-5-tert-octylphenyl]methane
Molecular Formula	C41H50N6O2

4,485

N-(tert-Butoxycarbonyl)-O-benzyl-L-tyrosine 98.0+%, TCI America™

CAS: 2130-96-3 Molecular Formula: C21H25NO5 Molecular Weight (g/mol): 371.43 MDL Number: MFCD00065597 InChI Key: ZAVSPTOJKOFMTA-LGWFVXIRNA-N Synonym: boc-tyr bzl-oh,boc-o-benzyl-l-tyrosine,n-boc-o-benzyl-l-tyrosine,n-tert-butoxycarbonyl-o-benzyl-l-tyrosine,s-3-4-benzyloxy phenyl-2-tert-butoxycarbonyl amino propanoic acid,n-tert-butoxycarbonyl-o-benzyl-l-tyrisine,o-benzyl-n-tert-butoxycarbonyl-l-tyrosine,2s-3-4-benzyloxy phenyl-2-tert-butoxycarbonyl amino propanoic acid,o-benzyl-n-tert-butoxy carbonyl-l-tyrosine,tyrosine, n-1,1-dimethylethoxy carbonyl-o-phenylmethyl PubChem CID: 98763 IUPAC Name: (2S)-3-[4-(benzyloxy)phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanoic acid SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(OCC2=CC=CC=C2)C=C1)C(O)=O

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Specifications

PubChem CID	98763
CAS	2130-96-3
Molecular Weight (g/mol)	371.43
MDL Number	MFCD00065597
SMILES	CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(OCC2=CC=CC=C2)C=C1)C(O)=O
Synonym	boc-tyr bzl-oh,boc-o-benzyl-l-tyrosine,n-boc-o-benzyl-l-tyrosine,n-tert-butoxycarbonyl-o-benzyl-l-tyrosine,s-3-4-benzyloxy phenyl-2-tert-butoxycarbonyl amino propanoic acid,n-tert-butoxycarbonyl-o-benzyl-l-tyrisine,o-benzyl-n-tert-butoxycarbonyl-l-tyrosine,2s-3-4-benzyloxy phenyl-2-tert-butoxycarbonyl amino propanoic acid,o-benzyl-n-tert-butoxy carbonyl-l-tyrosine,tyrosine, n-1,1-dimethylethoxy carbonyl-o-phenylmethyl
IUPAC Name	(2S)-3-[4-(benzyloxy)phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanoic acid
InChI Key	ZAVSPTOJKOFMTA-LGWFVXIRNA-N
Molecular Formula	C21H25NO5

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