Basic information
- Standard SMILES
CC(C)CNC(=O)N1CCNC1=O- InChIKey
SBYAVOHNDJTVPA-UHFFFAOYSA-N- Molecular formula
- C8H15N3O2
- Average molar mass
- 185.22 g/mol
- Monoisotopic mass
- 185.11642673
Names & identifiers
- Preferred name
- Isocarbamid
- IUPAC
- N-(2-methylpropyl)-2-oxoimidazolidine-1-carboxamide
- English name
- ISOCARBAMID
- Molecular formula
- C8H15N3O2
- Molecular weight
- 185.22
Names & synonyms
IsocarbamidISOCARBAMIDEImizolamidAzolamideIsolamidOzolamidMerpelan AZIsocarbamid [ISO]MNF 1661-Imidazolidinecarboxamide, N-(2-methylpropyl)-2-oxo-1-Isobutylcarbamoyl-imidazolin-2-oneBAY 94871
Show more names
mnf166AZOLAMIDIzolamidbay94871merpelanazisocarbami
N-Isobutyl-2-oxo-1-imidazolidinecarboxamideN-Isobutyl-2-oxoimidazolidine-1-carboxamideUNII-DSJ5KEN6J3DSJ5KEN6J3EINECS 250-410-01-Imidazolidinecarboxamide, N-isobutyl-2-oxo-Imidazolin-2-one, 1-isobutylcarbamoyl-N-(2-Methylpropyl)-2-oxo-1-imidazolidinecarboxamide
Database identifiers
- CAS
30979-48-7- PubChem CID
- 35699
- DTXSID
DTXSID70184967- ChEBI
CHEBI:82174- UNII
- DSJ5KEN6J3
- EC Number
- 250-410-0
- Nikkaji
- J28.629J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Experimental & physicochemical properties
Kovats Retention Index1756
Physicochemical properties
- Melting point
- 95.5 °C · 95.5°C
- Boiling point
- 319.45 °C · 319.45°C (rough estimate)
- Density
- 1.1652 · 1.1652 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- Flash point
- 100 °C · 100 °C
- pka
- 14.36 · 14.36±0.20(Predicted)
- Water Solubility
- 1.3 g/L · 1.3g/L(20 ºC)
- InChI
- 1S/C8H15N3O2/c1-6(2)5-10-8(13)11-4-3-9-7(11)12/h6H,3-5H2,1-2H3,(H,9,12)(H,10,13)
- InChIKey
- SBYAVOHNDJTVPA-UHFFFAOYSA-N
- SMILES
- CC(C)CNC(=O)N1CCNC1=O
- FDA UNII
- 5 KEN6J3 · DSJ5KEN6J3
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 2 · 2
- RTECS
- 5000000 · NJ5000000
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Hazard information
Regulatory Information2002/2076
Regulatory information
Regulatory Information2002/2076
Safety data
- wgk
- 2
- rtecs
- NJ5000000
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesIsocarbamide is a pesticide residue in agricultural products.
Suppliers15 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海毕楷科技有限公司18516304666
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
合肥孚亚生物技术有限公司18096409024 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海泰坦科技股份有限公司18616708014 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
DefinitionChEBI: Isocarbamid is an imidazolidinone.
Related reactions
4 records
Linked notes
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