6,7,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4(5H)-one (CAS 46001-09-6) — formula C8H11N3O, molecular weight 165.19; category organic chemicals.
| CAS Number | 46001-09-6 |
|---|---|
| Molecular Formula | C8H11N3O |
| Molecular Weight | 165.19 |
| LogP | -0.8 |
| Category | Organic Chemicals |
6,7,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4(5H)-one is a carbon-based organic compound with CAS registry number 46001-09-6 and molecular formula C8H11N3O (molecular weight 165.19), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 46001-09-6
Its molecular formula C8H11N3O comprises 8 C, 11 H, 3 N, 1 O atoms.
Also known as: 6,7,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4(5H)-one · 3,5,6,7,8,9-六氢-4H-嘧啶并[4,5-d]氮杂卓-4-酮
Category: organic chemicals
The CAS registry number of 6,7,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4(5H)-one is 46001-09-6.
Molecular formula C8H11N3O, molecular weight 165.19.
It is also registered under: 6,7,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4(5H)-one, 3,5,6,7,8,9-六氢-4H-嘧啶并[4,5-d]氮杂卓-4-酮.
Category: Organic Chemicals.
Independent reference data for 6,7,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4(5H)-one (CAS 46001-09-6), compiled from public chemistry databases.
| CAS 号 | 46001-09-6 |
|---|---|
| PubChem CID | 135741817 |
| 分子式 | C8H11N3O |
| IUPAC 名称 | 3,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-4-one |
| Molecular Weight | 165.19 |
|---|---|
| XLogP3 | -0.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 165.090211983 |
| Monoisotopic Mass | 165.090211983 |
| Topological Polar Surface Area | 53.5 |
| Heavy Atom Count | 12 |
46001-09-6; 6,7,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4(5H)-one; 3,5,6,7,8,9-hexahydro-4h-pyrimido[4,5-d]azepin-4-one; MFCD12755767; 3,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-4-one; 3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-d]azepin-4-one; 1,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-4-one; SCHEMBL4198092; DTXSID30676979; IQNFPZIIHKFPMG-UHFFFAOYSA-N; AKOS006343578; DB-012287; G50460; EN300-4254252; 6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-ol; 1,5,6,7,8,9-Hexahydro-4H-pyrimido[4,5-d]azepin-4-one
3,5,6,7,8,9-六氢-4H-嘧啶并[4,5-d]氮杂卓-4-酮 · CAS 46001-09-6 · C8H11N3O.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.