Unclassified Organic Compounds

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

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2,986 – 3,000 of 203,214 results

2,986

D-Valine Benzyl Ester p-Toluenesulfonate 98.0+%, TCI America™

CAS: 17662-84-9 Molecular Formula: C19H25NO5S Molecular Weight (g/mol): 379.471 MDL Number: MFCD00136545 InChI Key: QWUQVUDPBXFOKF-RFVHGSKJSA-N Synonym: H-D-Val-OBzl.Tos-OH PubChem CID: 44629854 IUPAC Name: benzyl (2R)-2-amino-3-methylbutanoate;4-methylbenzenesulfonic acid SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)C(C(=O)OCC1=CC=CC=C1)N

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PubChem CID	44629854
CAS	17662-84-9
Molecular Weight (g/mol)	379.471
MDL Number	MFCD00136545
SMILES	CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)C(C(=O)OCC1=CC=CC=C1)N
Synonym	H-D-Val-OBzl.Tos-OH
IUPAC Name	benzyl (2R)-2-amino-3-methylbutanoate;4-methylbenzenesulfonic acid
InChI Key	QWUQVUDPBXFOKF-RFVHGSKJSA-N
Molecular Formula	C19H25NO5S

2,987

(R)-(-)-2,3-Diaminopropionic Acid Hydrochloride 98.0+%, TCI America™

CAS: 6018-56-0 Molecular Formula: C3H9ClN2O2 Molecular Weight (g/mol): 140.567 MDL Number: MFCD00070606 InChI Key: SKWCZPYWFRTSDD-HSHFZTNMSA-N Synonym: 3-amino-d-alanine hydrochloride,r-2,3-diaminopropanoic acid hydrochloride,h-d-dap-oh hcl,2r-2,3-diaminopropanoic acid hydrochloride,unii-5452mgq13c,3-amino-d-alanine monohydrochloride,r---2,3-diaminopropionic acid hydrochloride,d-alanine, 3-amino-, monohydrochloride,d-2,3-diaminopropionic acid hydrochloride,d-2,3-diaminopropionic acid monohydrochloride PubChem CID: 16218517 IUPAC Name: (2R)-2,3-diaminopropanoic acid;hydrochloride SMILES: C(C(C(=O)O)N)N.Cl

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PubChem CID	16218517
CAS	6018-56-0
Molecular Weight (g/mol)	140.567
MDL Number	MFCD00070606
SMILES	C(C(C(=O)O)N)N.Cl
Synonym	3-amino-d-alanine hydrochloride,r-2,3-diaminopropanoic acid hydrochloride,h-d-dap-oh hcl,2r-2,3-diaminopropanoic acid hydrochloride,unii-5452mgq13c,3-amino-d-alanine monohydrochloride,r---2,3-diaminopropionic acid hydrochloride,d-alanine, 3-amino-, monohydrochloride,d-2,3-diaminopropionic acid hydrochloride,d-2,3-diaminopropionic acid monohydrochloride
IUPAC Name	(2R)-2,3-diaminopropanoic acid;hydrochloride
InChI Key	SKWCZPYWFRTSDD-HSHFZTNMSA-N
Molecular Formula	C3H9ClN2O2

2,988

Pentacosane 97.0+%, TCI America™

CAS: 629-99-2 Molecular Formula: C25H52 Molecular Weight (g/mol): 352.691 MDL Number: MFCD00009353 InChI Key: YKNWIILGEFFOPE-UHFFFAOYSA-N Synonym: n-pentacosane,unii-bon9h94y8v,bon9h94y8v,pentacosane, analytical standard,pentacosane,tetracosane, methyl,n-pentacosane 1g,pentacosane standardmaterialforgc,ch3-ch2 23-ch3,solution, 10,000 mg/l, 1 ml rm, iso guide 34 PubChem CID: 12406 ChEBI: CHEBI:32938 IUPAC Name: pentacosane SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC

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Specifications

PubChem CID	12406
CAS	629-99-2
Molecular Weight (g/mol)	352.691
ChEBI	CHEBI:32938
MDL Number	MFCD00009353
SMILES	CCCCCCCCCCCCCCCCCCCCCCCCC
Synonym	n-pentacosane,unii-bon9h94y8v,bon9h94y8v,pentacosane, analytical standard,pentacosane,tetracosane, methyl,n-pentacosane 1g,pentacosane standardmaterialforgc,ch3-ch2 23-ch3,solution, 10,000 mg/l, 1 ml rm, iso guide 34
IUPAC Name	pentacosane
InChI Key	YKNWIILGEFFOPE-UHFFFAOYSA-N
Molecular Formula	C25H52

2,989

Sodium Hydrogen 4-Chlorophthalate (contains isomer and Phthalic Acid) 70.0+%, TCI America™

CAS: 56047-23-5 Molecular Formula: C8H4ClNaO4 Molecular Weight (g/mol): 222.56 MDL Number: MFCD00002495 InChI Key: MWZMHSGEQHVWED-UHFFFAOYSA-M Synonym: sodium 4-chlorobenzene-1,2-dicarboxylic acid PubChem CID: 118797044 IUPAC Name: sodium 2-carboxy-5-chlorobenzoate SMILES: [Na+].OC(=O)C1=CC=C(Cl)C=C1C([O-])=O

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Specifications

PubChem CID	118797044
CAS	56047-23-5
Molecular Weight (g/mol)	222.56
MDL Number	MFCD00002495
SMILES	[Na+].OC(=O)C1=CC=C(Cl)C=C1C([O-])=O
Synonym	sodium 4-chlorobenzene-1,2-dicarboxylic acid
IUPAC Name	sodium 2-carboxy-5-chlorobenzoate
InChI Key	MWZMHSGEQHVWED-UHFFFAOYSA-M
Molecular Formula	C8H4ClNaO4

2,990

1,2,4-Trimethylcyclohexane (mixture of stereoisomers) 96.0+%, TCI America™

CAS: 2234-75-5 Molecular Formula: C9H18 Molecular Weight (g/mol): 126.24 MDL Number: MFCD00019385 InChI Key: VCJPCEVERINRSG-UHFFFAOYNA-N PubChem CID: 91517 IUPAC Name: 1,2,4-trimethylcyclohexane SMILES: CC1CCC(C)C(C)C1

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PubChem CID	91517
CAS	2234-75-5
Molecular Weight (g/mol)	126.24
MDL Number	MFCD00019385
SMILES	CC1CCC(C)C(C)C1
IUPAC Name	1,2,4-trimethylcyclohexane
InChI Key	VCJPCEVERINRSG-UHFFFAOYNA-N
Molecular Formula	C9H18

2,991

4-Ethylcyclohexanone 98.0+%, TCI America™

CAS: 5441-51-0 Molecular Formula: C8H14O Molecular Weight (g/mol): 126.20 MDL Number: MFCD00001644 InChI Key: OKSDJGWHKXFVME-UHFFFAOYSA-N Synonym: 4-ethylcyclohexanone,cyclohexanone, 4-ethyl,4-ethyl cyclohexanone,4-ethyl-cyclohexanone,1-ethyl-4-oxocyclohexane,trans-4-ethylcyclohexanone,acmc-1aru9,ksc273s8l,5-ethyl-2-oxocyclohexyl PubChem CID: 79506 IUPAC Name: 4-ethylcyclohexan-1-one SMILES: CCC1CCC(=O)CC1

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PubChem CID	79506
CAS	5441-51-0
Molecular Weight (g/mol)	126.20
MDL Number	MFCD00001644
SMILES	CCC1CCC(=O)CC1
Synonym	4-ethylcyclohexanone,cyclohexanone, 4-ethyl,4-ethyl cyclohexanone,4-ethyl-cyclohexanone,1-ethyl-4-oxocyclohexane,trans-4-ethylcyclohexanone,acmc-1aru9,ksc273s8l,5-ethyl-2-oxocyclohexyl
IUPAC Name	4-ethylcyclohexan-1-one
InChI Key	OKSDJGWHKXFVME-UHFFFAOYSA-N
Molecular Formula	C8H14O

2,992

Tetradecylcyclohexane 98.0+%, TCI America™

CAS: 1795-18-2 Molecular Formula: C20H40 Molecular Weight (g/mol): 280.54 MDL Number: MFCD00058951 InChI Key: NQAVPKIJZCHUNS-UHFFFAOYSA-N Synonym: Myristylcyclohexane, 1-Cyclohexyltetradecane PubChem CID: 15715 IUPAC Name: tetradecylcyclohexane SMILES: CCCCCCCCCCCCCCC1CCCCC1

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Specifications

PubChem CID	15715
CAS	1795-18-2
Molecular Weight (g/mol)	280.54
MDL Number	MFCD00058951
SMILES	CCCCCCCCCCCCCCC1CCCCC1
Synonym	Myristylcyclohexane, 1-Cyclohexyltetradecane
IUPAC Name	tetradecylcyclohexane
InChI Key	NQAVPKIJZCHUNS-UHFFFAOYSA-N
Molecular Formula	C20H40

2,993

Oxacillin Sodium Salt Monohydrate 98.0+%, TCI America™

CAS: 7240-38-2 Molecular Formula: C19H23N3NaO6S Molecular Weight (g/mol): 444.458 MDL Number: MFCD00167146 InChI Key: VKNIYYBMVNGVMD-MBGFYOAHSA-N PubChem CID: 131673944 IUPAC Name: (2S,5R,6R)-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;molecular hydrogen;sodium;hydrate SMILES: [HH].CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O.O.[Na]

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Specifications

PubChem CID	131673944
CAS	7240-38-2
Molecular Weight (g/mol)	444.458
MDL Number	MFCD00167146
SMILES	[HH].CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O.O.[Na]
IUPAC Name	(2S,5R,6R)-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;molecular hydrogen;sodium;hydrate
InChI Key	VKNIYYBMVNGVMD-MBGFYOAHSA-N
Molecular Formula	C19H23N3NaO6S

2,994

[1,1'-Bis(diphenylphosphino)ferrocene]nickel(II) Dichloride 97.0+%, TCI America™

CAS: 67292-34-6 Molecular Formula: C34H28Cl2FeNiP2 Molecular Weight (g/mol): 683.98 MDL Number: MFCD00270284 IUPAC Name: Dichloro[1,1'-bis(diphenylphosphino)ferrocene]nickel(II) SMILES: [Fe].Cl[Ni]Cl.c1ccc(c1)P(C1=CC=CC=C1)C1=CC=CC=C1.c1ccc(c1)P(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

CAS	67292-34-6
Molecular Weight (g/mol)	683.98
MDL Number	MFCD00270284
SMILES	[Fe].Cl[Ni]Cl.c1ccc(c1)P(C1=CC=CC=C1)C1=CC=CC=C1.c1ccc(c1)P(C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name	Dichloro[1,1'-bis(diphenylphosphino)ferrocene]nickel(II)
Molecular Formula	C34H28Cl2FeNiP2

2,995

(R,R,R)-Triglycidyl Isocyanurate 98.0+%, TCI America™

CAS: 240408-78-0 Molecular Formula: C12H15N3O6 Molecular Weight (g/mol): 297.27 MDL Number: MFCD03844798 InChI Key: OUPZKGBUJRBPGC-IWSPIJDZSA-N Synonym: Isocyanuric Acid (R,R,R)-Triglycidyl Ester, Isocyanuric Acid (R,R,R)-Tris(2,3-epoxypropyl) Ester, (R,R,R)-Tris(2,3-epoxypropyl) Isocyanurate

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CAS	240408-78-0
Molecular Weight (g/mol)	297.27
MDL Number	MFCD03844798
Synonym	Isocyanuric Acid (R,R,R)-Triglycidyl Ester, Isocyanuric Acid (R,R,R)-Tris(2,3-epoxypropyl) Ester, (R,R,R)-Tris(2,3-epoxypropyl) Isocyanurate
InChI Key	OUPZKGBUJRBPGC-IWSPIJDZSA-N
Molecular Formula	C12H15N3O6

2,996

D-Penicillamine 98.0+%, TCI America™

CAS: 52-67-5 Molecular Formula: C5H11NO2S Molecular Weight (g/mol): 149.208 MDL Number: MFCD00064302 InChI Key: VVNCNSJFMMFHPL-VKHMYHEASA-N Synonym: d-penicillamine,penicillamine,cuprimine,d---penicillamine,depen,3-mercapto-d-valine,cuprenil,d-penamine,--penicillamine,d-mercaptovaline PubChem CID: 5852 ChEBI: CHEBI:7959 IUPAC Name: (2S)-2-amino-3-methyl-3-sulfanylbutanoic acid SMILES: CC(C)(C(C(=O)O)N)S

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PubChem CID	5852
CAS	52-67-5
Molecular Weight (g/mol)	149.208
ChEBI	CHEBI:7959
MDL Number	MFCD00064302
SMILES	CC(C)(C(C(=O)O)N)S
Synonym	d-penicillamine,penicillamine,cuprimine,d---penicillamine,depen,3-mercapto-d-valine,cuprenil,d-penamine,--penicillamine,d-mercaptovaline
IUPAC Name	(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid
InChI Key	VVNCNSJFMMFHPL-VKHMYHEASA-N
Molecular Formula	C5H11NO2S

2,997

2,5-Diphenyl-1,4-benzoquinone 99.0+%, TCI America™

CAS: 844-51-9 Molecular Formula: C18H12O2 Molecular Weight (g/mol): 260.29 MDL Number: MFCD00001600 InChI Key: QYXHDJJYVDLECA-UHFFFAOYSA-N Synonym: 2,5-diphenyl-1,4-benzoquinone,2,5-diphenyl-p-benzoquinone,2,5-diphenylquinone,2,5-diphenyl-4-benzoquinone,2,5-diphenylbenzoquinone,2,5-cyclohexadiene-1,4-dione, 2,5-diphenyl,1,1':4',1-terphenyl-2',5'-dione,p-benzoquinone, 2,5-diphenyl,acmc-209pup,2,5-diphenyl-p-quinone PubChem CID: 70055 IUPAC Name: 2,5-diphenylcyclohexa-2,5-diene-1,4-dione SMILES: O=C1C=C(C(=O)C=C1C1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID	70055
CAS	844-51-9
Molecular Weight (g/mol)	260.29
MDL Number	MFCD00001600
SMILES	O=C1C=C(C(=O)C=C1C1=CC=CC=C1)C1=CC=CC=C1
Synonym	2,5-diphenyl-1,4-benzoquinone,2,5-diphenyl-p-benzoquinone,2,5-diphenylquinone,2,5-diphenyl-4-benzoquinone,2,5-diphenylbenzoquinone,2,5-cyclohexadiene-1,4-dione, 2,5-diphenyl,1,1':4',1-terphenyl-2',5'-dione,p-benzoquinone, 2,5-diphenyl,acmc-209pup,2,5-diphenyl-p-quinone
IUPAC Name	2,5-diphenylcyclohexa-2,5-diene-1,4-dione
InChI Key	QYXHDJJYVDLECA-UHFFFAOYSA-N
Molecular Formula	C18H12O2

2,998

3,3-Diphenyl-3H-naphtho[2,1-b]pyran 98.0+%, TCI America™

CAS: 4222-20-2 Molecular Formula: C25H18O Molecular Weight (g/mol): 334.418 InChI Key: UBNNJVRNPJVYBU-UHFFFAOYSA-N PubChem CID: 3104870 IUPAC Name: 3,3-diphenylbenzo[f]chromene SMILES: C1=CC=C(C=C1)C2(C=CC3=C(O2)C=CC4=CC=CC=C43)C5=CC=CC=C5

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Specifications

PubChem CID	3104870
CAS	4222-20-2
Molecular Weight (g/mol)	334.418
SMILES	C1=CC=C(C=C1)C2(C=CC3=C(O2)C=CC4=CC=CC=C43)C5=CC=CC=C5
IUPAC Name	3,3-diphenylbenzo[f]chromene
InChI Key	UBNNJVRNPJVYBU-UHFFFAOYSA-N
Molecular Formula	C25H18O

2,999

1,3-Diaminopropane Dihydroiodide 98.0+%, TCI America™

CAS: 120675-53-8 Molecular Formula: C3H12I2N2 Molecular Weight (g/mol): 329.952 InChI Key: KFXBDBPOGBBVMC-UHFFFAOYSA-N Synonym: 1,3-Propanediamine Dihydroiodide, Trimethylenediamine Dihydroiodide PubChem CID: 129655464 IUPAC Name: propane-1,3-diamine;dihydroiodide SMILES: C(CN)CN.I.I

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Specifications

PubChem CID	129655464
CAS	120675-53-8
Molecular Weight (g/mol)	329.952
SMILES	C(CN)CN.I.I
Synonym	1,3-Propanediamine Dihydroiodide, Trimethylenediamine Dihydroiodide
IUPAC Name	propane-1,3-diamine;dihydroiodide
InChI Key	KFXBDBPOGBBVMC-UHFFFAOYSA-N
Molecular Formula	C3H12I2N2

3,000

N-(2,4-Dinitrophenyl)-L-alanine Methyl Ester 98.0+%, TCI America™

CAS: 10420-63-0 Molecular Formula: C10H11N3O6 Molecular Weight (g/mol): 269.213 MDL Number: MFCD00051742 InChI Key: RXDDNUKGTCKLDT-LURJTMIESA-N Synonym: N-Dnp-L-alanine Methyl Ester, Dnp-Ala-OMe PubChem CID: 18642980 IUPAC Name: methyl (2S)-2-(2,4-dinitroanilino)propanoate SMILES: CC(C(=O)OC)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

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Specifications

PubChem CID	18642980
CAS	10420-63-0
Molecular Weight (g/mol)	269.213
MDL Number	MFCD00051742
SMILES	CC(C(=O)OC)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
Synonym	N-Dnp-L-alanine Methyl Ester, Dnp-Ala-OMe
IUPAC Name	methyl (2S)-2-(2,4-dinitroanilino)propanoate
InChI Key	RXDDNUKGTCKLDT-LURJTMIESA-N
Molecular Formula	C10H11N3O6

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