Basic information
- CAS
4939-59-7- Standard SMILES
CN(C)C(=O)Nc1cccc(OC(=O)N(C)C)c1- InChIKey
OVKYUFXUYVJDDU-UHFFFAOYSA-N- Molecular formula
- C12H17N3O3
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.12699141
Names & identifiers
- Preferred name
- 3-[(Dimethylcarbamoyl)amino]phenyl dimethylcarbamate
- IUPAC
- [3-(dimethylcarbamoylamino)phenyl] N,N-dimethylcarbamate
- English name
- 3-(3,3-dimethylureido)phenyl dimethylcarbamate
- Molecular formula
- C12H17N3O3
- Molecular weight
- 251.28
Names & synonyms
4939-59-73-[(dimethylcarbamoyl)amino]phenyl dimethylcarbamate3-(3,3-Dimethylureido)phenyl dimethylcarbamate[3-(dimethylcarbamoylamino)phenyl] N,N-dimethylcarbamateCarbamic acid, dimethyl-, ester with 3-(m-hydroxyphenyl)-1,1-dimethylurea6557-01-3MLS000062236Neostigmine Impurity 13Oprea1_421372Oprea1_4886553R3QH259ZJCHEMBL1442401
Show more names
Neostigmine Impurity 6Neostigmine Impurity 23Neostigmine bromide Impurity MCarbamic acid, dimethyl-, ester with 3-(m-hydroxyphenyl)-1,1-dimethylurea (7CI,8CI)
DTXSID20984156HMS1588E01HMS2357F10STL336909AKOS003635829SMR000071045SR-01000237109SR-01000237109-1
Database identifiers
- CAS
4939-59-7、6557-01-3- PubChem CID
- 883449
- DTXSID
DTXSID20984156- ChEMBL
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Boiling point
- 425.6 · 425.6±41.0 °C(Predicted)
- Density
- 1.21 · 1.210±0.06 g/cm3(Predicted)
- pka
- 14.47 · 14.47±0.70(Predicted)
Chemistry & industry
Suppliers11 total
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
南京博济达医药科技有限公司18762407961 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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