1,2,3,6-Tetrahydro-3-benzyl-6-imino-2-oxo-5-pyrimidinecarbonitrile (CAS 63731-94-2) — formula C12H10N4O, molecular weight 226.23; category organic chemicals.
| CAS Number | 63731-94-2 |
|---|---|
| Molecular Formula | C12H10N4O |
| Molecular Weight | 226.23 |
| LogP | 0.1 |
| Category | Organic Chemicals |
1,2,3,6-Tetrahydro-3-benzyl-6-imino-2-oxo-5-pyrimidinecarbonitrile is a carbon-based organic compound with CAS registry number 63731-94-2 and molecular formula C12H10N4O (molecular weight 226.23), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 63731-94-2
Its molecular formula C12H10N4O comprises 12 C, 10 H, 4 N, 1 O atoms.
Also known as: 1,2,3,6-Tetrahydro-3-benzyl-6-imino-2-oxo-5-pyrimidinecarbonitrile · 1,2,3,6-四氢-3-苄基-6-亚氨基-2-氧代-5-嘧啶甲腈
Category: organic chemicals
The CAS registry number of 1,2,3,6-Tetrahydro-3-benzyl-6-imino-2-oxo-5-pyrimidinecarbonitrile is 63731-94-2.
Molecular formula C12H10N4O, molecular weight 226.23.
It is also registered under: 1,2,3,6-Tetrahydro-3-benzyl-6-imino-2-oxo-5-pyrimidinecarbonitrile, 1,2,3,6-四氢-3-苄基-6-亚氨基-2-氧代-5-嘧啶甲腈.
Category: Organic Chemicals.
Independent reference data for 1,2,3,6-Tetrahydro-3-benzyl-6-imino-2-oxo-5-pyrimidinecarbonitrile (CAS 63731-94-2), compiled from public chemistry databases.
| CAS 号 | 63731-94-2 |
|---|---|
| PubChem CID | 114147 |
| 分子式 | C12H10N4O |
| IUPAC 名称 | 2-[(4-amino-2-oxopyrimidin-1-yl)methyl]benzonitrile |
| Molecular Weight | 226.23 |
|---|---|
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 226.08546096 |
| Monoisotopic Mass | 226.08546096 |
| Topological Polar Surface Area | 82.5 |
| Heavy Atom Count | 17 |
3-Benzyl-6-imino-2-oxo-1,2,3,6-tetrahydro-5-pyrimidinecarbonitrile; 63731-94-2; DTXSID20213155; 5-Pyrimidinecarbonitrile, 1,2,3,6-tetrahydro-3-benzyl-6-imino-2-oxo-; RefChem:304761; DTXCID20135646; 2-[(4-amino-2-oxopyrimidin-1(2h)-yl)methyl]benzonitrile
1,2,3,6-四氢-3-苄基-6-亚氨基-2-氧代-5-嘧啶甲腈 · CAS 63731-94-2 · C12H10N4O.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.