3-oxo-2,3,5,6,7,8-hexahydro-4-isoquinolinecarbonitrile(SALTDATA: FREE) (CAS 53661-31-7) — formula C10H10N2O, molecular weight 174.20; category organic chemicals.
| CAS Number | 53661-31-7 |
|---|---|
| Molecular Formula | C10H10N2O |
| Molecular Weight | 174.20 |
| LogP | 0.6 |
| Category | Organic Chemicals |
3-oxo-2,3,5,6,7,8-hexahydro-4-isoquinolinecarbonitrile(SALTDATA: FREE) is a carbon-based organic compound with CAS registry number 53661-31-7 and molecular formula C10H10N2O (molecular weight 174.20), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 53661-31-7
Its molecular formula C10H10N2O comprises 10 C, 10 H, 2 N, 1 O atoms.
Also known as: 3-oxo-2,3,5,6,7,8-hexahydro-4-isoquinolinecarbonitrile(SALTDATA: FREE) · 3-氧代-2,3,5,6,7,8-六氢-4-异喹啉甲腈（盐数据：免费）
Category: organic chemicals
The CAS registry number of 3-oxo-2,3,5,6,7,8-hexahydro-4-isoquinolinecarbonitrile(SALTDATA: FREE) is 53661-31-7.
Molecular formula C10H10N2O, molecular weight 174.20.
It is also registered under: 3-oxo-2,3,5,6,7,8-hexahydro-4-isoquinolinecarbonitrile(SALTDATA: FREE), 3-氧代-2,3,5,6,7,8-六氢-4-异喹啉甲腈（盐数据：免费）.
Category: Organic Chemicals.
Independent reference data for 3-oxo-2,3,5,6,7,8-hexahydro-4-isoquinolinecarbonitrile(SALTDATA: FREE) (CAS 53661-31-7), compiled from public chemistry databases.
| CAS 号 | 53661-31-7 |
|---|---|
| PubChem CID | 12197586 |
| 分子式 | C10H10N2O |
| IUPAC 名称 | 3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile |
| Molecular Weight | 174.20 |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 174.079312947 |
| Monoisotopic Mass | 174.079312947 |
| Topological Polar Surface Area | 52.9 |
| Heavy Atom Count | 13 |
53661-31-7; 3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile; DTXSID10480031; RefChem:281481; DTXCID80430841; 831-993-6; 3-oxo-2,3,5,6,7,8-hexahydro-4-isoquinolinecarbonitrile; 3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile; MFCD00822620; 4-Isoquinolinecarbonitrile, 2,3,5,6,7,8-hexahydro-3-oxo-; CHEMBL118680; SCHEMBL16935277; DCA66131; AKOS006273124; BS-38136; DB-183631
| 已通报的危害声明 | H302 (100%), H312 (100%), H315 (100%), H319 (100%), H332 (100%), H335 (100%) |
|---|
3-氧代-2,3,5,6,7,8-六氢-4-异喹啉甲腈（盐数据：免费） · CAS 53661-31-7 · C10H10N2O.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.