Unclassified Organic Compounds

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

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3,931 – 3,945 of 168,425 results

3,931

2-Cyclohepten-1-one 85.0+%, TCI America™

CAS: 1121-66-0 Molecular Formula: C7H10O Molecular Weight (g/mol): 110.156 MDL Number: MFCD00004157 InChI Key: WZCRDVTWUYLPTR-UHFFFAOYSA-N Synonym: 2-cyclohepten-1-one,cyclohept-2-enone,tropilene,2-cycloheptenone,cycloheptenone,z-cyclohept-2-enone,cyclohept-2-eneone,cyclohept-en-1-one,acmc-1bphl,2-cyclohepten-1-one, z PubChem CID: 70723 IUPAC Name: cyclohept-2-en-1-one SMILES: C1CCC(=O)C=CC1

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Specifications

PubChem CID	70723
CAS	1121-66-0
Molecular Weight (g/mol)	110.156
MDL Number	MFCD00004157
SMILES	C1CCC(=O)C=CC1
Synonym	2-cyclohepten-1-one,cyclohept-2-enone,tropilene,2-cycloheptenone,cycloheptenone,z-cyclohept-2-enone,cyclohept-2-eneone,cyclohept-en-1-one,acmc-1bphl,2-cyclohepten-1-one, z
IUPAC Name	cyclohept-2-en-1-one
InChI Key	WZCRDVTWUYLPTR-UHFFFAOYSA-N
Molecular Formula	C7H10O

3,932

N-Acetyl-L-tryptophan 98.0+%, TCI America™

CAS: 1218-34-4 Molecular Formula: C13H14N2O3 Molecular Weight (g/mol): 246.27 MDL Number: MFCD00065976 InChI Key: DZTHIGRZJZPRDV-LBPRGKRZSA-N Synonym: n-acetyl-l-tryptophan,ac-trp-oh,acetyl-l-tryptophan,acetyltryptophan,acetyl-l-trp,ac-try,s-n-acetyltryptophan,unii-u9264t8oae,tryptophan, n-acetyl,s-2-acetamido-3-1h-indol-3-yl propanoic acid PubChem CID: 700653 ChEBI: CHEBI:74640 IUPAC Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid SMILES: CC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O

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Specifications

PubChem CID	700653
CAS	1218-34-4
Molecular Weight (g/mol)	246.27
ChEBI	CHEBI:74640
MDL Number	MFCD00065976
SMILES	CC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O
Synonym	n-acetyl-l-tryptophan,ac-trp-oh,acetyl-l-tryptophan,acetyltryptophan,acetyl-l-trp,ac-try,s-n-acetyltryptophan,unii-u9264t8oae,tryptophan, n-acetyl,s-2-acetamido-3-1h-indol-3-yl propanoic acid
IUPAC Name	(2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid
InChI Key	DZTHIGRZJZPRDV-LBPRGKRZSA-N
Molecular Formula	C13H14N2O3

3,933

(4-Nitrophenyl)(phenyl)iodonium Trifluoromethanesulfonate 98.0+%, TCI America™

CAS: 905718-45-8 Molecular Formula: C13H9F3INO5S Molecular Weight (g/mol): 475.18 MDL Number: MFCD21608480 InChI Key: OPSOSRFTIUMCJF-UHFFFAOYSA-M Synonym: (4-Nitrophenyl)(phenyl)iodonium Triflate PubChem CID: 16727017 IUPAC Name: (4-nitrophenyl)(phenyl)iodanium trifluoromethanesulfonate SMILES: [O-]S(=O)(=O)C(F)(F)F.[O-][N+](=O)C1=CC=C([I+]C2=CC=CC=C2)C=C1

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Specifications

PubChem CID	16727017
CAS	905718-45-8
Molecular Weight (g/mol)	475.18
MDL Number	MFCD21608480
SMILES	[O-]S(=O)(=O)C(F)(F)F.[O-][N+](=O)C1=CC=C([I+]C2=CC=CC=C2)C=C1
Synonym	(4-Nitrophenyl)(phenyl)iodonium Triflate
IUPAC Name	(4-nitrophenyl)(phenyl)iodanium trifluoromethanesulfonate
InChI Key	OPSOSRFTIUMCJF-UHFFFAOYSA-M
Molecular Formula	C13H9F3INO5S

3,934

4-Fluoro-L-phenylalanine 98.0+%, TCI America™

CAS: 1132-68-9 Molecular Formula: C9H10FNO2 Molecular Weight (g/mol): 183.182 MDL Number: MFCD00063064 InChI Key: XWHHYOYVRVGJJY-QMMMGPOBSA-N Synonym: 4-fluoro-l-phenylalanine,p-fluoro-l-phenylalanine,s-4-fluorophenylalanine,l-4-fluorophenylalanine,h-phe 4-f-oh,s-2-amino-3-4-fluorophenyl propanoic acid,unii-e2k2vdk6kk,l-phenylalanine, 4-fluoro,s---p-fluorophenylalanine,2s-2-amino-3-4-fluorophenyl propanoic acid PubChem CID: 716312 ChEBI: CHEBI:44909 IUPAC Name: (2S)-2-amino-3-(4-fluorophenyl)propanoic acid SMILES: C1=CC(=CC=C1CC(C(=O)O)N)F

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Specifications

PubChem CID	716312
CAS	1132-68-9
Molecular Weight (g/mol)	183.182
ChEBI	CHEBI:44909
MDL Number	MFCD00063064
SMILES	C1=CC(=CC=C1CC(C(=O)O)N)F
Synonym	4-fluoro-l-phenylalanine,p-fluoro-l-phenylalanine,s-4-fluorophenylalanine,l-4-fluorophenylalanine,h-phe 4-f-oh,s-2-amino-3-4-fluorophenyl propanoic acid,unii-e2k2vdk6kk,l-phenylalanine, 4-fluoro,s---p-fluorophenylalanine,2s-2-amino-3-4-fluorophenyl propanoic acid
IUPAC Name	(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
InChI Key	XWHHYOYVRVGJJY-QMMMGPOBSA-N
Molecular Formula	C9H10FNO2

3,935

Neocuproine Hemihydrate 98.0+%, TCI America™

CAS: 34302-69-7 Molecular Formula: C28H26N4O Molecular Weight (g/mol): 434.54 MDL Number: MFCD00149306,MFCD00004973,MFCD00149306,MFCD23140843 InChI Key: IEBXFSLFDFHSRD-UHFFFAOYSA-N Synonym: unii-2sdt9ev86w,2sdt9ev86w,neocuproine hemihydrate mi,1,10-phenanthroline, 2,9-dimethyl-, hemihydrate,1,10-phenanthroline, 2,9-dimethyl-, hydrate 2:1,2,9-dimethyl-1,10-phenthroline hemihydrate PubChem CID: 67652146 IUPAC Name: bis(2,9-dimethyl-1,10-phenanthroline) hydrate SMILES: O.CC1=CC=C2C=CC3=CC=C(C)N=C3C2=N1.CC1=CC=C2C=CC3=CC=C(C)N=C3C2=N1

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Specifications

PubChem CID	67652146
CAS	34302-69-7
Molecular Weight (g/mol)	434.54
MDL Number	MFCD00149306,MFCD00004973,MFCD00149306,MFCD23140843
SMILES	O.CC1=CC=C2C=CC3=CC=C(C)N=C3C2=N1.CC1=CC=C2C=CC3=CC=C(C)N=C3C2=N1
Synonym	unii-2sdt9ev86w,2sdt9ev86w,neocuproine hemihydrate mi,1,10-phenanthroline, 2,9-dimethyl-, hemihydrate,1,10-phenanthroline, 2,9-dimethyl-, hydrate 2:1,2,9-dimethyl-1,10-phenthroline hemihydrate
IUPAC Name	bis(2,9-dimethyl-1,10-phenanthroline) hydrate
InChI Key	IEBXFSLFDFHSRD-UHFFFAOYSA-N
Molecular Formula	C28H26N4O

3,936

2,2,3-Trimethylpentane 99.0+%, TCI America™

CAS: 564-02-3 Molecular Formula: C8H18 Molecular Weight (g/mol): 114.232 MDL Number: MFCD00059241 InChI Key: XTDQDBVBDLYELW-UHFFFAOYSA-N PubChem CID: 11255 IUPAC Name: 2,2,3-trimethylpentane SMILES: CCC(C)C(C)(C)C

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Specifications

PubChem CID	11255
CAS	564-02-3
Molecular Weight (g/mol)	114.232
MDL Number	MFCD00059241
SMILES	CCC(C)C(C)(C)C
IUPAC Name	2,2,3-trimethylpentane
InChI Key	XTDQDBVBDLYELW-UHFFFAOYSA-N
Molecular Formula	C8H18

3,937

Budesonide 98.0+%, TCI America™

CAS: 51333-22-3 Molecular Formula: C25H34O6 Molecular Weight (g/mol): 430.54 MDL Number: MFCD00083259,MFCD00138154 InChI Key: VOVIALXJUBGFJZ-VXKMTNQYSA-N Synonym: (+)-16alpha,17alpha-Butylidenedioxy-11beta,21-dihydroxy-1,4-pregnadiene-3,20-dione PubChem CID: 73759663 IUPAC Name: (1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-14,17-dien-16-one SMILES: CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO

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Specifications

PubChem CID	73759663
CAS	51333-22-3
Molecular Weight (g/mol)	430.54
MDL Number	MFCD00083259,MFCD00138154
SMILES	CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO
Synonym	(+)-16alpha,17alpha-Butylidenedioxy-11beta,21-dihydroxy-1,4-pregnadiene-3,20-dione
IUPAC Name	(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-14,17-dien-16-one
InChI Key	VOVIALXJUBGFJZ-VXKMTNQYSA-N
Molecular Formula	C25H34O6

3,938

Trimethylhexamethylene Diisocyanate (2,2,4- and 2,4,4- mixture) 97.0+%, TCI America™

CAS: 28679-16-5 Molecular Formula: C11H18N2O2 MDL Number: MFCD00040422

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Specifications

CAS	28679-16-5
MDL Number	MFCD00040422
Molecular Formula	C11H18N2O2

3,939

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

3,940

Sinigrin Hydrate 98.0+%, TCI America™

CAS: 3952-98-5 Molecular Formula: C10H16KNO9S2 Molecular Weight (g/mol): 397.454 MDL Number: MFCD00006616 InChI Key: QKFAFSGJTMHRRY-IMCRRPDGSA-M Synonym: potassium myronate,prop-2-enyl glucosinolate PubChem CID: 122130679 IUPAC Name: potassium;[(E)-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbut-3-enylideneamino] sulfate SMILES: C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+]

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Specifications

PubChem CID	122130679
CAS	3952-98-5
Molecular Weight (g/mol)	397.454
MDL Number	MFCD00006616
SMILES	C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+]
Synonym	potassium myronate,prop-2-enyl glucosinolate
IUPAC Name	potassium;[(E)-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbut-3-enylideneamino] sulfate
InChI Key	QKFAFSGJTMHRRY-IMCRRPDGSA-M
Molecular Formula	C10H16KNO9S2

3,941

10,10'-Dimethyl-9,9'-biacridinium Bis(monomethyl Terephthalate) [for Chemiluminescence Research], TCI America™

CAS: 469865-01-8 Molecular Formula: C46H36N2O8 Molecular Weight (g/mol): 744.8 InChI Key: BPSROIZFFFEAQI-UHFFFAOYSA-L Synonym: MMT PubChem CID: 130406107 IUPAC Name: 4-methoxycarbonylbenzoate;10-methyl-9-(10-methylacridin-10-ium-9-yl)acridin-10-ium SMILES: C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C4=C5C=CC=CC5=[N+](C6=CC=CC=C64)C.COC(=O)C1=CC=C(C=C1)C(=O)[O-].COC(=O)C1=CC=C(C=C1)C(=O)[O-]

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Specifications

PubChem CID	130406107
CAS	469865-01-8
Molecular Weight (g/mol)	744.8
SMILES	C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C4=C5C=CC=CC5=[N+](C6=CC=CC=C64)C.COC(=O)C1=CC=C(C=C1)C(=O)[O-].COC(=O)C1=CC=C(C=C1)C(=O)[O-]
Synonym	MMT
IUPAC Name	4-methoxycarbonylbenzoate;10-methyl-9-(10-methylacridin-10-ium-9-yl)acridin-10-ium
InChI Key	BPSROIZFFFEAQI-UHFFFAOYSA-L
Molecular Formula	C46H36N2O8

3,942

Cresyl Diphenyl Phosphate (so called) (mixture of analogue) 93.0+%, TCI America™

CAS: 26444-49-5 Molecular Formula: C19H17O4P MDL Number: MFCD00014920 Synonym: Diphenyl Cresyl Phosphate, Phosphoric Acid Cresyl Diphenyl Ester

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Specifications

CAS	26444-49-5
MDL Number	MFCD00014920
Synonym	Diphenyl Cresyl Phosphate, Phosphoric Acid Cresyl Diphenyl Ester
Molecular Formula	C19H17O4P

3,943

Iminodiacetic Acid 98.0+%, TCI America™

CAS: 142-73-4 Molecular Formula: C4H7NO4 Molecular Weight (g/mol): 133.103 MDL Number: MFCD00004280 InChI Key: NBZBKCUXIYYUSX-UHFFFAOYSA-N Synonym: iminodiacetic acid,2,2'-iminodiacetic acid,glycine, n-carboxymethyl,aminodiacetic acid,diglycocoll,diglykokoll,diglycin,iminodiethanoic acid,n-carboxymethyl glycine,2,2'-azanediyldiacetic acid PubChem CID: 8897 ChEBI: CHEBI:24786 IUPAC Name: 2-(carboxymethylamino)acetic acid SMILES: C(C(=O)O)NCC(=O)O

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Specifications

PubChem CID	8897
CAS	142-73-4
Molecular Weight (g/mol)	133.103
ChEBI	CHEBI:24786
MDL Number	MFCD00004280
SMILES	C(C(=O)O)NCC(=O)O
Synonym	iminodiacetic acid,2,2'-iminodiacetic acid,glycine, n-carboxymethyl,aminodiacetic acid,diglycocoll,diglykokoll,diglycin,iminodiethanoic acid,n-carboxymethyl glycine,2,2'-azanediyldiacetic acid
IUPAC Name	2-(carboxymethylamino)acetic acid
InChI Key	NBZBKCUXIYYUSX-UHFFFAOYSA-N
Molecular Formula	C4H7NO4

3,944

Lead(II) Phthalocyanine (purified by sublimation) 98.0+%, TCI America™

CAS: 15187-16-3 Molecular Formula: C32H16N8Pb MDL Number: MFCD00053951 Synonym: Phthalocyanine Lead(II)

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Specifications

CAS	15187-16-3
MDL Number	MFCD00053951
Synonym	Phthalocyanine Lead(II)
Molecular Formula	C32H16N8Pb

3,945

2-Butyl-n-octan-1-amine 98.0+%, TCI America™

CAS: 217655-07-7 Molecular Formula: C12H27N Synonym: 2-Butyl-1-n-octylamine, 1-Amino-2-butyl-n-octane, 5-(Aminomethyl)undecane

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Specifications

CAS	217655-07-7
Synonym	2-Butyl-1-n-octylamine, 1-Amino-2-butyl-n-octane, 5-(Aminomethyl)undecane
Molecular Formula	C12H27N

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