Basic information
- CAS
4543-62-8- Standard SMILES
NC(=O)NOC(N)=O- InChIKey
XCGWUIXOGKKOEY-UHFFFAOYSA-N- Molecular formula
- C2H5N3O3
- Average molar mass
- 119.08 g/mol
- Monoisotopic mass
- 119.03309103
Overview
structure
Names & identifiers
- Preferred name
- Carbamoyloxyurea
- IUPAC
- (carbamoylamino) carbamate
- English name
- carbamoyloxyurea
- Molecular formula
- C2H5N3O3
- Molecular weight
- 119.08
Names & synonyms
Carbamoyloxyurea4543-62-8DTXSID40196512RefChem:123462DTXCID80119003N-(Carbamoyloxy)urea((Aminocarbonyl)oxy)urea(carbamoylamino) carbamateO-Carbamoylhydroxyurea(Aminocarbonyl)azanyl Carbamic Acid Ester1-(Carbamoyloxy)ureaurea-urethane
Show more names
1-CarbamoyloxyureaCarbamic acid, (aminocarbonyl)azanyl ester
Urea, ((aminocarbonyl)oxy)-Hydroxylamine, N,O-dicarbamoyl-SQ 10726(Aminocarbonyl)?azanyl Carbamic Acid EsterBRN 1858712SQ-10726DKU3MV3PKNSCHEMBL346554
Database identifiers
- CAS
4543-62-8- PubChem CID
- 145754
- DTXSID
DTXSID40196512- UNII
- DKU3MV3PKN
- EC Number
- 861-976-9
- Nikkaji
- J86.777B
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Melting point
- 158 · 158-160 °C
- Density
- 1.52 · 1.520±0.06 g/cm3(Predicted)
- pka
- 13.26 · 13.26±0.50(Predicted)
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 341 · H341
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesMuta. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- Hazard statements
- H341
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Applications
Uses(Aminocarbonyl)azanyl Carbamic Acid Ester is a useful compound in biological studies. It is an effective inhibitor of mammalian ribonucleotide reductase, which is involved in DNA synthesis.
Suppliers17 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
昌邑市隆昌生物化工有限公司+86-13256193735; +86-13256193735 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
湖北昌玖新材料科技有限公司13407109540 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
深圳市创鑫生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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