N-[2-(Hexahydro-1H-azepin-1-yl)ethyl]phenylethylmalonamidic acid ethyl ester (CAS 96064-46-9) — formula C21H32N2O3, molecular weight 360.5; category organic chemicals.
| CAS Number | 96064-46-9 |
|---|---|
| Molecular Formula | C21H32N2O3 |
| Molecular Weight | 360.5 |
| LogP | 3.6 |
| Category | Organic Chemicals |
N-[2-(Hexahydro-1H-azepin-1-yl)ethyl]phenylethylmalonamidic acid ethyl ester is a carbon-based organic compound with CAS registry number 96064-46-9 and molecular formula C21H32N2O3 (molecular weight 360.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 96064-46-9
Its molecular formula C21H32N2O3 comprises 21 C, 32 H, 2 N, 3 O atoms.
Also known as: N-[2-(Hexahydro-1H-azepin-1-yl)ethyl]phenylethylmalonamidic acid ethyl ester · N-[2-(六氢-1H-氮杂-1-基)乙基]苯乙基丙二酰胺酸乙酯
Category: organic chemicals
The CAS registry number of N-[2-(Hexahydro-1H-azepin-1-yl)ethyl]phenylethylmalonamidic acid ethyl ester is 96064-46-9.
Molecular formula C21H32N2O3, molecular weight 360.5.
It is also registered under: N-[2-(Hexahydro-1H-azepin-1-yl)ethyl]phenylethylmalonamidic acid ethyl ester, N-[2-(六氢-1H-氮杂-1-基)乙基]苯乙基丙二酰胺酸乙酯.
Category: Organic Chemicals.
Independent reference data for N-[2-(Hexahydro-1H-azepin-1-yl)ethyl]phenylethylmalonamidic acid ethyl ester (CAS 96064-46-9), compiled from public chemistry databases.
| CAS 号 | 96064-46-9 |
|---|---|
| PubChem CID | 57008 |
| 分子式 | C21H32N2O3 |
| IUPAC 名称 | ethyl 2-[2-(azepan-1-yl)ethylcarbamoyl]-2-phenylbutanoate |
| Molecular Weight | 360.5 |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 9 |
| Exact Mass | 360.24129289 |
| Monoisotopic Mass | 360.24129289 |
| Topological Polar Surface Area | 58.6 |
| Heavy Atom Count | 26 |
BR 83; BRN 1354624; 2-Ethyl-N-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl-malonamic acid ethyl ester; 96064-46-9; 5-20-04-00042 (Beilstein Handbook Reference); Malonamic acid, 2-ethyl-N-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl-, ethyl ester; RefChem:351816; SCHEMBL29398075; DTXSID80914676; N-[2-(Azepan-1-yl)ethyl]-2-(ethoxycarbonyl)-2-phenylbutanimidic acid
N-[2-(六氢-1H-氮杂-1-基)乙基]苯乙基丙二酰胺酸乙酯 · CAS 96064-46-9 · C21H32N2O3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.