1-ethyl-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile (CAS 53661-27-1) — formula C12H14N2O, molecular weight 202.25; category organic chemicals.
| CAS Number | 53661-27-1 |
|---|---|
| Molecular Formula | C12H14N2O |
| Molecular Weight | 202.25 |
| LogP | 1.4 |
| Category | Organic Chemicals |
1-ethyl-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile is a carbon-based organic compound with CAS registry number 53661-27-1 and molecular formula C12H14N2O (molecular weight 202.25), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 53661-27-1
Its molecular formula C12H14N2O comprises 12 C, 14 H, 2 N, 1 O atoms.
Also known as: 1-ethyl-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile · 1-乙基-3-氧代-2,3,5,6,7,8-六氢异喹啉-4-甲腈
Category: organic chemicals
The CAS registry number of 1-ethyl-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile is 53661-27-1.
Molecular formula C12H14N2O, molecular weight 202.25.
It is also registered under: 1-ethyl-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile, 1-乙基-3-氧代-2,3,5,6,7,8-六氢异喹啉-4-甲腈.
Category: Organic Chemicals.
Independent reference data for 1-ethyl-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile (CAS 53661-27-1), compiled from public chemistry databases.
| CAS 号 | 53661-27-1 |
|---|---|
| PubChem CID | 658812 |
| 分子式 | C12H14N2O |
| IUPAC 名称 | 1-ethyl-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile |
| UNII（FDA） | HMS1515E14 |
| Molecular Weight | 202.25 |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 202.110613074 |
| Monoisotopic Mass | 202.110613074 |
| Topological Polar Surface Area | 52.9 |
| Heavy Atom Count | 15 |
1-ethyl-3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile; 53661-27-1; 1-ethyl-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile; SMR000034874; MLS000030462; MFCD01948102; ChemDiv3_014886; Oprea1_503049; cid_658812; CHEMBL1308261; BDBM55225; HMS1515E14; HMS2343A23; HMS5089E06; STK830172; AKOS001679277
1-乙基-3-氧代-2,3,5,6,7,8-六氢异喹啉-4-甲腈 · CAS 53661-27-1 · C12H14N2O. UNII HMS1515E14.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.