Organic carbonic acids and derivatives

Organic compounds that consist of two hydroxyl groups bonded to a central carbonyl group; includes compounds that are derived from organic carbonic acids.

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Urea, Ultrapure, 99.5%, Spectrum™ Chemical

CAS: 57-13-6 Molecular Formula: CH4N2O Molecular Weight (g/mol): 60.06 InChI Key: XSQUKJJJFZCRTK-UHFFFAOYSA-N IUPAC Name: urea SMILES: NC(N)=O

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CAS	57-13-6
Molecular Weight (g/mol)	60.06
SMILES	NC(N)=O
IUPAC Name	urea
InChI Key	XSQUKJJJFZCRTK-UHFFFAOYSA-N
Molecular Formula	CH4N2O

Propylene carbonate, MP Biomedicals™

CAS: 108-32-7 Molecular Formula: C4H6O3 Molecular Weight (g/mol): 102.09 MDL Number: MFCD00005385,MFCD00798264,MFCD00798265 InChI Key: RUOJZAUFBMNUDX-UHFFFAOYNA-N Synonym: propylene carbonate,1,2-propylene carbonate,1,2-propanediol cyclic carbonate,texacar pc,1,3-dioxolan-2-one, 4-methyl,cyclic propylene carbonate,arconate 5000,1,2-propanediol carbonate,1-methylethylene carbonate,cyclic 1,2-propylene carbonate PubChem CID: 7924 IUPAC Name: 4-methyl-1,3-dioxolan-2-one SMILES: CC1COC(=O)O1

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PubChem CID	7924
CAS	108-32-7
Molecular Weight (g/mol)	102.09
MDL Number	MFCD00005385,MFCD00798264,MFCD00798265
SMILES	CC1COC(=O)O1
Synonym	propylene carbonate,1,2-propylene carbonate,1,2-propanediol cyclic carbonate,texacar pc,1,3-dioxolan-2-one, 4-methyl,cyclic propylene carbonate,arconate 5000,1,2-propanediol carbonate,1-methylethylene carbonate,cyclic 1,2-propylene carbonate
IUPAC Name	4-methyl-1,3-dioxolan-2-one
InChI Key	RUOJZAUFBMNUDX-UHFFFAOYNA-N
Molecular Formula	C4H6O3

Urea, Ultra Pure, ≥99%, MP Biomedicals

CAS: 57-13-6 Molecular Formula: CH4N2O Molecular Weight (g/mol): 60.056 MDL Number: MFCD00008022 InChI Key: XSQUKJJJFZCRTK-UHFFFAOYSA-N Synonym: carbamide,isourea,carbonyldiamide,ureophil,carbonyldiamine,carbamimidic acid,pseudourea,ureaphil,urevert,alphadrate PubChem CID: 1176 ChEBI: CHEBI:48376 IUPAC Name: urea SMILES: C(=O)(N)N

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PubChem CID	1176
CAS	57-13-6
Molecular Weight (g/mol)	60.056
ChEBI	CHEBI:48376
MDL Number	MFCD00008022
SMILES	C(=O)(N)N
Synonym	carbamide,isourea,carbonyldiamide,ureophil,carbonyldiamine,carbamimidic acid,pseudourea,ureaphil,urevert,alphadrate
IUPAC Name	urea
InChI Key	XSQUKJJJFZCRTK-UHFFFAOYSA-N
Molecular Formula	CH4N2O

4-Fluoro-1,3-dioxolan-2-one, 98%

CAS: 114435-02-8 Molecular Formula: C3H3FO3 Molecular Weight (g/mol): 106.052 MDL Number: MFCD06247543 InChI Key: SBLRHMKNNHXPHG-UHFFFAOYSA-N Synonym: fluoroethylene carbonate,1,3-dioxolan-2-one, 4-fluoro,fluoro ethylene carbonate,4-fluoro-1,3-dioxalan-2-one,4-fluoro-2-oxo-1,3-dioxolane,4-fluoro-ethylene carbonate,4-fluoro-ethylene carboante,ksc219e1h,fec, lithium ion battery grade PubChem CID: 2769656 IUPAC Name: 4-fluoro-1,3-dioxolan-2-one SMILES: C1C(OC(=O)O1)F

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PubChem CID	2769656
CAS	114435-02-8
Molecular Weight (g/mol)	106.052
MDL Number	MFCD06247543
SMILES	C1C(OC(=O)O1)F
Synonym	fluoroethylene carbonate,1,3-dioxolan-2-one, 4-fluoro,fluoro ethylene carbonate,4-fluoro-1,3-dioxalan-2-one,4-fluoro-2-oxo-1,3-dioxolane,4-fluoro-ethylene carbonate,4-fluoro-ethylene carboante,ksc219e1h,fec, lithium ion battery grade
IUPAC Name	4-fluoro-1,3-dioxolan-2-one
InChI Key	SBLRHMKNNHXPHG-UHFFFAOYSA-N
Molecular Formula	C3H3FO3

6-Bromoquinazoline-2,4(1H,3H)-dione, 97%

CAS: 88145-89-5 Molecular Formula: C8H5BrN2O2 Molecular Weight (g/mol): 241.044 MDL Number: MFCD00462868 InChI Key: JZDVFUAHGLJVQG-UHFFFAOYSA-N Synonym: 6-bromoquinazoline-2,4 1h,3h-dione,6-bromo-2,4 1h,3h-quinazolinedione,6-bromoquinazoline-2,4-dione,6-bromoquinazoline-2,4-diol,2,4 1h,3h-quinazolinedione, 6-bromo,6-bromo-1,3-dihydroquinazoline-2,4-dione,6-bromo-1,2,3,4-tetrahydroquinazoline-2,4-dione,bromoquinazolinedione,pubchem20961,acmc-209qre PubChem CID: 617686 IUPAC Name: 6-bromo-1H-quinazoline-2,4-dione SMILES: C1=CC2=C(C=C1Br)C(=O)NC(=O)N2

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PubChem CID	617686
CAS	88145-89-5
Molecular Weight (g/mol)	241.044
MDL Number	MFCD00462868
SMILES	C1=CC2=C(C=C1Br)C(=O)NC(=O)N2
Synonym	6-bromoquinazoline-2,4 1h,3h-dione,6-bromo-2,4 1h,3h-quinazolinedione,6-bromoquinazoline-2,4-dione,6-bromoquinazoline-2,4-diol,2,4 1h,3h-quinazolinedione, 6-bromo,6-bromo-1,3-dihydroquinazoline-2,4-dione,6-bromo-1,2,3,4-tetrahydroquinazoline-2,4-dione,bromoquinazolinedione,pubchem20961,acmc-209qre
IUPAC Name	6-bromo-1H-quinazoline-2,4-dione
InChI Key	JZDVFUAHGLJVQG-UHFFFAOYSA-N
Molecular Formula	C8H5BrN2O2

1,3-Bis(hydroxymethyl)urea, tech. 90%

CAS: 140-95-4 Molecular Formula: C3H8N2O3 Molecular Weight (g/mol): 120.11 MDL Number: MFCD00014414 InChI Key: QUBQYFYWUJJAAK-UHFFFAOYSA-N Synonym: 1,3-bis hydroxymethyl urea,dimethylolurea,oxymethurea,n,n'-dimethylolurea,methural,carbamol,caurite,metural,urofix,protesine dmu PubChem CID: 8827 IUPAC Name: 1,3-bis(hydroxymethyl)urea SMILES: OCNC(=O)NCO

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PubChem CID	8827
CAS	140-95-4
Molecular Weight (g/mol)	120.11
MDL Number	MFCD00014414
SMILES	OCNC(=O)NCO
Synonym	1,3-bis hydroxymethyl urea,dimethylolurea,oxymethurea,n,n'-dimethylolurea,methural,carbamol,caurite,metural,urofix,protesine dmu
IUPAC Name	1,3-bis(hydroxymethyl)urea
InChI Key	QUBQYFYWUJJAAK-UHFFFAOYSA-N
Molecular Formula	C3H8N2O3

Urea, Ultrapure Bioreagent, J.T. Baker™

CAS: 57-13-6 Molecular Formula: CH4N2O Molecular Weight (g/mol): 60.056 InChI Key: XSQUKJJJFZCRTK-UHFFFAOYSA-N Synonym: carbamide,isourea,carbonyldiamide,ureophil,carbonyldiamine,carbamimidic acid,pseudourea,ureaphil,urevert,alphadrate PubChem CID: 1176 ChEBI: CHEBI:48376 IUPAC Name: urea SMILES: C(=O)(N)N

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PubChem CID	1176
CAS	57-13-6
Molecular Weight (g/mol)	60.056
ChEBI	CHEBI:48376
SMILES	C(=O)(N)N
Synonym	carbamide,isourea,carbonyldiamide,ureophil,carbonyldiamine,carbamimidic acid,pseudourea,ureaphil,urevert,alphadrate
IUPAC Name	urea
InChI Key	XSQUKJJJFZCRTK-UHFFFAOYSA-N
Molecular Formula	CH4N2O

5-Methoxy-2-benzimidazolinone, 98%

CAS: 2080-75-3 Molecular Formula: C8H8N2O2 Molecular Weight (g/mol): 164.164 MDL Number: MFCD00051946 InChI Key: AUPLVAKFTYFHTA-UHFFFAOYSA-N Synonym: 5-methoxy-2-benzimidazolinone,5-methoxy-1h-benzo d imidazol-2 3h-one,2-hydroxy-5-methoxybenzimidazole,5-methoxy-2-hydroxybenzimidazole,2h-benzimidazol-2-one, 1,3-dihydro-5-methoxy,5-methoxy-benzimidazolin-2-one,5-methoxy-1,3-dihydro-benzoimidazol-2-one,5-methoxy-1h-1,3-benzodiazol-2-ol,1,3-dihydro-5-methoxy-2h-benzimidazol-2-one,1,3-dihydro-5-methoxy-2h-benzimidazole-2-one PubChem CID: 591101 IUPAC Name: 5-methoxy-1,3-dihydrobenzimidazol-2-one SMILES: COC1=CC2=C(C=C1)NC(=O)N2

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Specifications

PubChem CID	591101
CAS	2080-75-3
Molecular Weight (g/mol)	164.164
MDL Number	MFCD00051946
SMILES	COC1=CC2=C(C=C1)NC(=O)N2
Synonym	5-methoxy-2-benzimidazolinone,5-methoxy-1h-benzo d imidazol-2 3h-one,2-hydroxy-5-methoxybenzimidazole,5-methoxy-2-hydroxybenzimidazole,2h-benzimidazol-2-one, 1,3-dihydro-5-methoxy,5-methoxy-benzimidazolin-2-one,5-methoxy-1,3-dihydro-benzoimidazol-2-one,5-methoxy-1h-1,3-benzodiazol-2-ol,1,3-dihydro-5-methoxy-2h-benzimidazol-2-one,1,3-dihydro-5-methoxy-2h-benzimidazole-2-one
IUPAC Name	5-methoxy-1,3-dihydrobenzimidazol-2-one
InChI Key	AUPLVAKFTYFHTA-UHFFFAOYSA-N
Molecular Formula	C8H8N2O2

N,N'-Dicyclohexylurea, 98%

CAS: 2387-23-7 Molecular Formula: C13H24N2O Molecular Weight (g/mol): 224.348 MDL Number: MFCD00003829 InChI Key: ADFXKUOMJKEIND-UHFFFAOYSA-N Synonym: n,n'-dicyclohexylurea,dicyclohexylurea,urea, n,n'-dicyclohexyl,unii-zv7823vvim,chembl1458,zv7823vvim,urea,3-dicyclohexyl,urea,n'-dicyclohexyl,n,n inverted exclamation marka-dicyclohexylurea,urea, 1,3-dicyclohexyl PubChem CID: 4277 IUPAC Name: 1,3-dicyclohexylurea SMILES: C1CCC(CC1)NC(=O)NC2CCCCC2

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PubChem CID	4277
CAS	2387-23-7
Molecular Weight (g/mol)	224.348
MDL Number	MFCD00003829
SMILES	C1CCC(CC1)NC(=O)NC2CCCCC2
Synonym	n,n'-dicyclohexylurea,dicyclohexylurea,urea, n,n'-dicyclohexyl,unii-zv7823vvim,chembl1458,zv7823vvim,urea,3-dicyclohexyl,urea,n'-dicyclohexyl,n,n inverted exclamation marka-dicyclohexylurea,urea, 1,3-dicyclohexyl
IUPAC Name	1,3-dicyclohexylurea
InChI Key	ADFXKUOMJKEIND-UHFFFAOYSA-N
Molecular Formula	C13H24N2O

100

5-Chloro-1-(4-piperidinyl)-2-benzimidazolidinone, 98%

CAS: 53786-28-0 Molecular Formula: C12H14ClN3O Molecular Weight (g/mol): 251.714 MDL Number: MFCD02684518 InChI Key: DOAYWDKFDPSTSV-UHFFFAOYSA-N Synonym: 5-chloro-1-4-piperidyl-2-benzimidazolinone,5-chloro-1-piperidin-4-yl-1h-benzo d imidazol-2 3h-one,1-4-piperidinyl-1,3-dihydro-5-chlorobenzimidazolone,5-chloro-1,3-dihydro-1-4-piperidinyl-2h-benzimidazol-2-one,domperidone impurity a,5-chloro-1-piperidin-4-yl-1,3-dihydro-2h-benzimidazol-2-one,5-chloro-1-piperidin-4-yl-1,3-dihydro-benzoimidazol-2-one,4-5-chloro-2-oxo-2h-benzimidazol-1-yl piperidine,5-chloro-1-4-piperidyl-3-hydrobenzimidazol-2-one PubChem CID: 104607 IUPAC Name: 6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-one SMILES: C1CNCCC1N2C3=C(C=C(C=C3)Cl)NC2=O

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PubChem CID	104607
CAS	53786-28-0
Molecular Weight (g/mol)	251.714
MDL Number	MFCD02684518
SMILES	C1CNCCC1N2C3=C(C=C(C=C3)Cl)NC2=O
Synonym	5-chloro-1-4-piperidyl-2-benzimidazolinone,5-chloro-1-piperidin-4-yl-1h-benzo d imidazol-2 3h-one,1-4-piperidinyl-1,3-dihydro-5-chlorobenzimidazolone,5-chloro-1,3-dihydro-1-4-piperidinyl-2h-benzimidazol-2-one,domperidone impurity a,5-chloro-1-piperidin-4-yl-1,3-dihydro-2h-benzimidazol-2-one,5-chloro-1-piperidin-4-yl-1,3-dihydro-benzoimidazol-2-one,4-5-chloro-2-oxo-2h-benzimidazol-1-yl piperidine,5-chloro-1-4-piperidyl-3-hydrobenzimidazol-2-one
IUPAC Name	6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-one
InChI Key	DOAYWDKFDPSTSV-UHFFFAOYSA-N
Molecular Formula	C12H14ClN3O

101

N,N'-Dicyclohexylurea, 98%

CAS: 2387-23-7 MDL Number: MFCD00003829 InChI Key: ADFXKUOMJKEIND-UHFFFAOYSA-N Synonym: n,n'-dicyclohexylurea,dicyclohexylurea,urea, n,n'-dicyclohexyl,unii-zv7823vvim,chembl1458,zv7823vvim,urea,3-dicyclohexyl,urea,n'-dicyclohexyl,n,n inverted exclamation marka-dicyclohexylurea,urea, 1,3-dicyclohexyl PubChem CID: 4277 IUPAC Name: 1,3-dicyclohexylurea SMILES: C1CCC(CC1)NC(=O)NC2CCCCC2

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Specifications

PubChem CID	4277
CAS	2387-23-7
MDL Number	MFCD00003829
SMILES	C1CCC(CC1)NC(=O)NC2CCCCC2
Synonym	n,n'-dicyclohexylurea,dicyclohexylurea,urea, n,n'-dicyclohexyl,unii-zv7823vvim,chembl1458,zv7823vvim,urea,3-dicyclohexyl,urea,n'-dicyclohexyl,n,n inverted exclamation marka-dicyclohexylurea,urea, 1,3-dicyclohexyl
IUPAC Name	1,3-dicyclohexylurea
InChI Key	ADFXKUOMJKEIND-UHFFFAOYSA-N

102

1-[3-(Dimethylamino)propyl]-3-ethylurea, 97%

CAS: 32897-26-0 Molecular Formula: C8H19N3O Molecular Weight (g/mol): 173.26 MDL Number: MFCD00027752 InChI Key: NGJUYARYEXGDNN-UHFFFAOYSA-N Synonym: 1-3-dimethylamino propyl-3-ethylurea,1-ethyl-3 3-dimethylamino urea,1-ethyl-3-3-dimethylaminopropyl urea,urea, n-3-dimethylamino propyl-n'-ethyl,3-3-dimethylamino propyl-1-ethylurea,1-3-dimethylamino propyl-3-ethyl isourea,1-3-dimethylaminopropyl-3-ethylurea,3-ethyl amino hydroxy methylene amino-n,n-dimethylpropan-1-amine PubChem CID: 4196313 IUPAC Name: 1-[3-(dimethylamino)propyl]-3-ethylurea SMILES: CCNC(=O)NCCCN(C)C

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Specifications

PubChem CID	4196313
CAS	32897-26-0
Molecular Weight (g/mol)	173.26
MDL Number	MFCD00027752
SMILES	CCNC(=O)NCCCN(C)C
Synonym	1-3-dimethylamino propyl-3-ethylurea,1-ethyl-3 3-dimethylamino urea,1-ethyl-3-3-dimethylaminopropyl urea,urea, n-3-dimethylamino propyl-n'-ethyl,3-3-dimethylamino propyl-1-ethylurea,1-3-dimethylamino propyl-3-ethyl isourea,1-3-dimethylaminopropyl-3-ethylurea,3-ethyl amino hydroxy methylene amino-n,n-dimethylpropan-1-amine
IUPAC Name	1-[3-(dimethylamino)propyl]-3-ethylurea
InChI Key	NGJUYARYEXGDNN-UHFFFAOYSA-N
Molecular Formula	C8H19N3O

103

Domperidone

CAS: 57808-66-9 Molecular Formula: C22H24ClN5O2 Molecular Weight (g/mol): 425.917 MDL Number: MFCD00069256 InChI Key: FGXWKSZFVQUSTL-UHFFFAOYSA-N Synonym: domperidone,motilium,nauzelin,domperidonum,domperidona,domperidon,domperidonum inn-latin,domperidona inn-spanish,motillium,motinorm PubChem CID: 3151 ChEBI: CHEBI:31515 IUPAC Name: 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one SMILES: C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O

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Specifications

PubChem CID	3151
CAS	57808-66-9
Molecular Weight (g/mol)	425.917
ChEBI	CHEBI:31515
MDL Number	MFCD00069256
SMILES	C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O
Synonym	domperidone,motilium,nauzelin,domperidonum,domperidona,domperidon,domperidonum inn-latin,domperidona inn-spanish,motillium,motinorm
IUPAC Name	6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
InChI Key	FGXWKSZFVQUSTL-UHFFFAOYSA-N
Molecular Formula	C22H24ClN5O2

104

N,N-Dimethylurea, 98%

CAS: 598-94-7 Molecular Formula: C3H8N2O Molecular Weight (g/mol): 88.11 MDL Number: MFCD00007959 InChI Key: YBBLOADPFWKNGS-UHFFFAOYSA-N Synonym: n,n-dimethylurea,urea, n,n-dimethyl,asym-dimethylurea,urea, dimethyl,urea, 1,1-dimethyl,n,n-dimethylharnstoff german,n,n-dimethylharnstoff,dimethyl urea,1.1-dimethylurea,1,1-dimethyl-urea PubChem CID: 11737 IUPAC Name: 1,1-dimethylurea SMILES: CN(C)C(=O)N

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Specifications

PubChem CID	11737
CAS	598-94-7
Molecular Weight (g/mol)	88.11
MDL Number	MFCD00007959
SMILES	CN(C)C(=O)N
Synonym	n,n-dimethylurea,urea, n,n-dimethyl,asym-dimethylurea,urea, dimethyl,urea, 1,1-dimethyl,n,n-dimethylharnstoff german,n,n-dimethylharnstoff,dimethyl urea,1.1-dimethylurea,1,1-dimethyl-urea
IUPAC Name	1,1-dimethylurea
InChI Key	YBBLOADPFWKNGS-UHFFFAOYSA-N
Molecular Formula	C3H8N2O

105

Benzoyleneurea, 98%

CAS: 86-96-4 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD00006699 InChI Key: SDQJTWBNWQABLE-UHFFFAOYSA-N Synonym: benzoyleneurea,quinazoline-2,4 1h,3h-dione,2,4 1h,3h-quinazolinedione,quinazoline-2,4-diol,2,4-dihydroxyquinazoline,quinazolinedione,benzouracil,quinazoline-2,4-dione,urea, benzoylene,1,2,3,4-tetrahydroquinazoline-2,4-dione PubChem CID: 64048 IUPAC Name: 1H-quinazoline-2,4-dione SMILES: C1=CC=C2C(=C1)C(=O)NC(=O)N2

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Specifications

PubChem CID	64048
CAS	86-96-4
Molecular Weight (g/mol)	162.148
MDL Number	MFCD00006699
SMILES	C1=CC=C2C(=C1)C(=O)NC(=O)N2
Synonym	benzoyleneurea,quinazoline-2,4 1h,3h-dione,2,4 1h,3h-quinazolinedione,quinazoline-2,4-diol,2,4-dihydroxyquinazoline,quinazolinedione,benzouracil,quinazoline-2,4-dione,urea, benzoylene,1,2,3,4-tetrahydroquinazoline-2,4-dione
IUPAC Name	1H-quinazoline-2,4-dione
InChI Key	SDQJTWBNWQABLE-UHFFFAOYSA-N
Molecular Formula	C8H6N2O2

Organic carbonic acids and derivatives

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Urea, Ultrapure, 99.5%, Spectrum™ Chemical