hexahydro-N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-2-oxo-1H-azepine-1-carboxamide (CAS 85423-10-5) — formula C18H29N3O3, molecular weight 335.4; category organic chemicals.
| CAS Number | 85423-10-5 |
|---|---|
| Molecular Formula | C18H29N3O3 |
| Molecular Weight | 335.4 |
| LogP | 4.2 |
| Category | Organic Chemicals |
hexahydro-N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-2-oxo-1H-azepine-1-carboxamide is a carbon-based organic compound with CAS registry number 85423-10-5 and molecular formula C18H29N3O3 (molecular weight 335.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85423-10-5
Its molecular formula C18H29N3O3 comprises 18 C, 29 H, 3 N, 3 O atoms.
Also known as: hexahydro-N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-2-oxo-1H-azepine-1-carboxamide · 六氢-N-[(5-异氰酸基-1,3,3-三甲基环己基)甲基]-2-氧代-1H-氮杂-1-甲酰胺
Category: organic chemicals
The CAS registry number of hexahydro-N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-2-oxo-1H-azepine-1-carboxamide is 85423-10-5.
Molecular formula C18H29N3O3, molecular weight 335.4.
It is also registered under: hexahydro-N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-2-oxo-1H-azepine-1-carboxamide, 六氢-N-[(5-异氰酸基-1,3,3-三甲基环己基)甲基]-2-氧代-1H-氮杂-1-甲酰胺.
Category: Organic Chemicals.
Independent reference data for hexahydro-N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-2-oxo-1H-azepine-1-carboxamide (CAS 85423-10-5), compiled from public chemistry databases.
| CAS 号 | 85423-10-5 |
|---|---|
| PubChem CID | 11970939 |
| 分子式 | C18H29N3O3 |
| IUPAC 名称 | N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-2-oxoazepane-1-carboxamide |
| UNII（FDA） | NS00066262 |
| Molecular Weight | 335.4 |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 335.22089180 |
| Monoisotopic Mass | 335.22089180 |
| Topological Polar Surface Area | 78.8 |
| Heavy Atom Count | 24 |
85423-10-5; EINECS 287-213-4; HEXAHYDRO-N-[(5-ISOCYANATO-1,3,3-TRIMETHYLCYCLOHEXYL)METHYL]-2-OXO-1H-AZEPINE-1-CARBOXAMIDE; Hexahydro-N-((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-2-oxo-1H-azepine-1-carboxamide; RefChem:146049; 287-213-4; UTXHODYEQYVYHR-UHFFFAOYSA-N; DTXSID501005945; NS00066262; N-[(5-Isocyanato-1,3,3-trimethylcyclohexyl)methyl]-2-oxoazepane-1-carboximidic acid
六氢-N-[(5-异氰酸基-1,3,3-三甲基环己基)甲基]-2-氧代-1H-氮杂-1-甲酰胺 · CAS 85423-10-5 · C18H29N3O3. UNII NS00066262.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.