Unclassified Organic Compounds

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

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Thermo Scientific Chemicals D-(+)-Glucose monohydrate

CAS: 14431-43-7 Molecular Formula: C₆H₁₂O₆·H₂O MDL Number: MFCD00149450

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CAS	14431-43-7
MDL Number	MFCD00149450
Molecular Formula	C₆H₁₂O₆·H₂O

Dipropylene glycol monobutyl ether

CAS: 29911-28-2 Molecular Formula: C10H22O3 Molecular Weight (g/mol): 190.28 InChI Key: CUVLMZNMSPJDON-UHFFFAOYNA-N IUPAC Name: 1-[(1-butoxypropan-2-yl)oxy]propan-2-ol SMILES: CCCCOCC(C)OCC(C)O

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CAS	29911-28-2
Molecular Weight (g/mol)	190.28
SMILES	CCCCOCC(C)OCC(C)O
IUPAC Name	1-[(1-butoxypropan-2-yl)oxy]propan-2-ol
InChI Key	CUVLMZNMSPJDON-UHFFFAOYNA-N
Molecular Formula	C10H22O3

Thermo Scientific Chemicals Fluorescein disodium salt hydrate

CAS: 518-47-8 Molecular Formula: C20H10Na2O5 Molecular Weight (g/mol): 376.28 MDL Number: MFCD00167039 InChI Key: NJDNXYGOVLYJHP-UHFFFAOYSA-L Synonym: Acid Yellow 73; C.I. 45350 IUPAC Name: disodium 2-(6-oxido-3-oxo-3H-xanthen-9-yl)benzoate SMILES: [Na+].[Na+].[O-]C(=O)C1=CC=CC=C1C1=C2C=CC(=O)C=C2OC2=CC([O-])=CC=C12

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Specifications

CAS	518-47-8
Molecular Weight (g/mol)	376.28
MDL Number	MFCD00167039
SMILES	[Na+].[Na+].[O-]C(=O)C1=CC=CC=C1C1=C2C=CC(=O)C=C2OC2=CC([O-])=CC=C12
Synonym	Acid Yellow 73; C.I. 45350
IUPAC Name	disodium 2-(6-oxido-3-oxo-3H-xanthen-9-yl)benzoate
InChI Key	NJDNXYGOVLYJHP-UHFFFAOYSA-L
Molecular Formula	C20H10Na2O5

N-Lauroylsarcosine sodium salt, 95%

CAS: 137-16-6 Molecular Formula: C15H28NNaO3 Molecular Weight (g/mol): 293.38 MDL Number: MFCD00042728 InChI Key: KSAVQLQVUXSOCR-UHFFFAOYSA-M Synonym: sarkosyl nl,sodium lauroyl sarcosinate,n-lauroylsarcosine sodium salt,sodium n-lauroylsarcosinate,sodium lauroylsarcosinate,sarcosyl nl,maprosyl 30,compound 105,gardol,hamposyl l-30 PubChem CID: 23668817 IUPAC Name: sodium;2-[dodecanoyl(methyl)amino]acetate SMILES: [Na+].CCCCCCCCCCCC(=O)N(C)CC([O-])=O

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PubChem CID	23668817
CAS	137-16-6
Molecular Weight (g/mol)	293.38
MDL Number	MFCD00042728
SMILES	[Na+].CCCCCCCCCCCC(=O)N(C)CC([O-])=O
Synonym	sarkosyl nl,sodium lauroyl sarcosinate,n-lauroylsarcosine sodium salt,sodium n-lauroylsarcosinate,sodium lauroylsarcosinate,sarcosyl nl,maprosyl 30,compound 105,gardol,hamposyl l-30
IUPAC Name	sodium;2-[dodecanoyl(methyl)amino]acetate
InChI Key	KSAVQLQVUXSOCR-UHFFFAOYSA-M
Molecular Formula	C15H28NNaO3

L-Theanine, 98%

CAS: 3081-61-6 Molecular Formula: C7H14N2O3 Molecular Weight (g/mol): 174.20 MDL Number: MFCD00059653 InChI Key: DATAGRPVKZEWHA-UHFFFAOYNA-N Synonym: l-theanine,theanine,theanin,s-2-amino-5-ethylamino-5-oxopentanoic acid,n-ethyl-l-glutamine,suntheanine,n5-ethyl-l-glutamine,n 5-ethyl-l-glutamine,unii-8021pr16qo PubChem CID: 439378 ChEBI: CHEBI:17394 IUPAC Name: (2S)-2-amino-5-(ethylamino)-5-oxopentanoic acid SMILES: CCNC(=O)CCC(N)C(O)=O

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PubChem CID	439378
CAS	3081-61-6
Molecular Weight (g/mol)	174.20
ChEBI	CHEBI:17394
MDL Number	MFCD00059653
SMILES	CCNC(=O)CCC(N)C(O)=O
Synonym	l-theanine,theanine,theanin,s-2-amino-5-ethylamino-5-oxopentanoic acid,n-ethyl-l-glutamine,suntheanine,n5-ethyl-l-glutamine,n 5-ethyl-l-glutamine,unii-8021pr16qo
IUPAC Name	(2S)-2-amino-5-(ethylamino)-5-oxopentanoic acid
InChI Key	DATAGRPVKZEWHA-UHFFFAOYNA-N
Molecular Formula	C7H14N2O3

Riboflavin-5'-phosphate sodium salt dihydrate

CAS: 6184-17-4 Molecular Formula: C17H24N4NaO11P Molecular Weight (g/mol): 514.36 MDL Number: MFCD00150993 InChI Key: LQVGUKOCMOKKJU-FTNKLFHDNA-M Synonym: riboflavin 5'-monophosphate sodium salt dihydrate PubChem CID: 131856174 IUPAC Name: [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate;sodium;dihydrate SMILES: O.O.[Na+].CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)COP(O)([O-])=O)C3=NC(=O)NC(=O)C3=NC2=C1

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PubChem CID	131856174
CAS	6184-17-4
Molecular Weight (g/mol)	514.36
MDL Number	MFCD00150993
SMILES	O.O.[Na+].CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)COP(O)([O-])=O)C3=NC(=O)NC(=O)C3=NC2=C1
Synonym	riboflavin 5'-monophosphate sodium salt dihydrate
IUPAC Name	[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate;sodium;dihydrate
InChI Key	LQVGUKOCMOKKJU-FTNKLFHDNA-M
Molecular Formula	C17H24N4NaO11P

N-Acetylglycine, 99%

CAS: 543-24-8 Molecular Formula: C₄H₇NO₃ Molecular Weight (g/mol): 117.1 MDL Number: MFCD00004275 InChI Key: OKJIRPAQVSHGFK-UHFFFAOYSA-N Synonym: n-acetylglycine,aceturic acid,acetamidoacetic acid,acetylglycine,ac-gly-oh,glycine, n-acetyl,acetylaminoacetic acid,acetylamino-acetic acid,acetylglycocoll,ethanoylaminoethanoic acid PubChem CID: 10972 ChEBI: CHEBI:40410 IUPAC Name: 2-acetamidoacetic acid SMILES: CC(=O)NCC(=O)O

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Specifications

PubChem CID	10972
CAS	543-24-8
Molecular Weight (g/mol)	117.1
ChEBI	CHEBI:40410
MDL Number	MFCD00004275
SMILES	CC(=O)NCC(=O)O
Synonym	n-acetylglycine,aceturic acid,acetamidoacetic acid,acetylglycine,ac-gly-oh,glycine, n-acetyl,acetylaminoacetic acid,acetylamino-acetic acid,acetylglycocoll,ethanoylaminoethanoic acid
IUPAC Name	2-acetamidoacetic acid
InChI Key	OKJIRPAQVSHGFK-UHFFFAOYSA-N
Molecular Formula	C₄H₇NO₃

Acriflavine neutral, 13.3-15.8% chlorine

CAS: 8048-52-0 Molecular Formula: C27H25ClN6 Molecular Weight (g/mol): 468.99 MDL Number: MFCD00064307 InChI Key: PEJLNXHANOHNSU-UHFFFAOYSA-N Synonym: Acriflavine base,3, 6-Diamino-10-methylacridinium chloride,Euflavine IUPAC Name: 3,6-diamino-10-methylacridin-10-ium acridine-3,6-diamine chloride SMILES: [Cl-].NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1.C[N+]1=C2C=C(N)C=CC2=CC2=CC=C(N)C=C12

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Specifications

CAS	8048-52-0
Molecular Weight (g/mol)	468.99
MDL Number	MFCD00064307
SMILES	[Cl-].NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1.C[N+]1=C2C=C(N)C=CC2=CC2=CC=C(N)C=C12
Synonym	Acriflavine base,3, 6-Diamino-10-methylacridinium chloride,Euflavine
IUPAC Name	3,6-diamino-10-methylacridin-10-ium acridine-3,6-diamine chloride
InChI Key	PEJLNXHANOHNSU-UHFFFAOYSA-N
Molecular Formula	C27H25ClN6

Alginic acid sodium salt, high viscosity

CAS: 9005-38-3 Molecular Formula: (C6H7O7)A(C6H7O7)BNa MDL Number: MFCD00081310 Synonym: Algin; Sodium alginate

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Specifications

CAS	9005-38-3
MDL Number	MFCD00081310
Synonym	Algin; Sodium alginate
Molecular Formula	(C6H7O7)A(C6H7O7)BNa

Di-tert-butyl azodicarboxylate, 97%

CAS: 870-50-8 Molecular Formula: C₁₀H₁₈N₂O₄ Molecular Weight (g/mol): 230.26 InChI Key: QKSQWQOAUQFORH-VAWYXSNFSA-N Synonym: di-tert-butyl azodicarboxylate,di-tert-butylazodicarboxylate,di-tert-butyl diazene-1,2-dicarboxylate,azodicarboxylic acid di-tert-butyl ester,di-tert-butyl azodicarboxylate dbad,pubchem17548,n-tert-butoxycarbonyl imino tert-butoxy formamide,tert-butyl tert-butyl oxycarbonyl diazenyl formate,n-tert-butoxy carbonyl imino tert-butoxy formamide,1,2-diazenedicarboxylic acid, 1,2-bis 1,1-dimethylethyl ester PubChem CID: 6034084 IUPAC Name: tert-butyl (NE)-N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate SMILES: CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)C

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PubChem CID	6034084
CAS	870-50-8
Molecular Weight (g/mol)	230.26
SMILES	CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)C
Synonym	di-tert-butyl azodicarboxylate,di-tert-butylazodicarboxylate,di-tert-butyl diazene-1,2-dicarboxylate,azodicarboxylic acid di-tert-butyl ester,di-tert-butyl azodicarboxylate dbad,pubchem17548,n-tert-butoxycarbonyl imino tert-butoxy formamide,tert-butyl tert-butyl oxycarbonyl diazenyl formate,n-tert-butoxy carbonyl imino tert-butoxy formamide,1,2-diazenedicarboxylic acid, 1,2-bis 1,1-dimethylethyl ester
IUPAC Name	tert-butyl (NE)-N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate
InChI Key	QKSQWQOAUQFORH-VAWYXSNFSA-N
Molecular Formula	C₁₀H₁₈N₂O₄

4-Hydroxy-TEMPO, free radical, 98+%

CAS: 2226-96-2 Molecular Formula: C₉H₁₈NO₂ MDL Number: MFCD00006478 Synonym: 4-Hydroxy-2,2,6,6-tetramethyl-1-piperidin-1-yloxy, free radical

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CAS	2226-96-2
MDL Number	MFCD00006478
Synonym	4-Hydroxy-2,2,6,6-tetramethyl-1-piperidin-1-yloxy, free radical
Molecular Formula	C₉H₁₈NO₂

Thermo Scientific Chemicals D-(+)-Raffinose pentahydrate, 99%

CAS: 17629-30-0 Molecular Formula: C18H42O21 Molecular Weight (g/mol): 594.513 MDL Number: MFCD00071590 InChI Key: BITMAWRCWSHCRW-ORBWWOJFSA-N Synonym: d-+-raffinosepentahydrate PubChem CID: 134129414 IUPAC Name: (3S,4S,5R,6R)-2-[[(2R,3S,4S,5S)-6-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;pentahydrate SMILES: C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O.O.O.O.O.O

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PubChem CID	134129414
CAS	17629-30-0
Molecular Weight (g/mol)	594.513
MDL Number	MFCD00071590
SMILES	C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O.O.O.O.O.O
Synonym	d-+-raffinosepentahydrate
IUPAC Name	(3S,4S,5R,6R)-2-[[(2R,3S,4S,5S)-6-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;pentahydrate
InChI Key	BITMAWRCWSHCRW-ORBWWOJFSA-N
Molecular Formula	C18H42O21

4-(2-Pyridylazo)resorcinol monosodium salt monohydrate

CAS: 16593-81-0 Molecular Formula: C11H9N3O2 Molecular Weight (g/mol): 215.21 MDL Number: MFCD00150712,MFCD00150712,MFCD00150712,MFCD00006256 InChI Key: VLCAILLZPUINNF-UKTHLTGXSA-N Synonym: 4-2-pyridylazo resorcinol monosodium saltmonohydrate PubChem CID: 132988475 IUPAC Name: 3-hydroxy-4-(pyridin-2-ylhydrazinylidene)cyclohexa-2,5-dien-1-one;sodium;hydrate SMILES: OC1=CC(=O)C=C\C1=N/NC1=CC=CC=N1

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Specifications

PubChem CID	132988475
CAS	16593-81-0
Molecular Weight (g/mol)	215.21
MDL Number	MFCD00150712,MFCD00150712,MFCD00150712,MFCD00006256
SMILES	OC1=CC(=O)C=C\C1=N/NC1=CC=CC=N1
Synonym	4-2-pyridylazo resorcinol monosodium saltmonohydrate
IUPAC Name	3-hydroxy-4-(pyridin-2-ylhydrazinylidene)cyclohexa-2,5-dien-1-one;sodium;hydrate
InChI Key	VLCAILLZPUINNF-UKTHLTGXSA-N
Molecular Formula	C11H9N3O2

Mineral oil

CAS: 8020-83-5 MDL Number: MFCD00131611

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CAS	8020-83-5
MDL Number	MFCD00131611

PubChem CID	23668817
CAS	137-16-6
Molecular Weight (g/mol)	293.38
MDL Number	MFCD00042728
SMILES	[Na+].CCCCCCCCCCCC(=O)N(C)CC([O-])=O
Synonym	sarkosyl nl,sodium lauroyl sarcosinate,n-lauroylsarcosine sodium salt,sodium n-lauroylsarcosinate,sodium lauroylsarcosinate,sarcosyl nl,maprosyl 30,compound 105,gardol,hamposyl l-30
IUPAC Name	sodium;2-[dodecanoyl(methyl)amino]acetate
InChI Key	KSAVQLQVUXSOCR-UHFFFAOYSA-M
Molecular Formula	C15H28NNaO3

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