trans-4-[5-(4-Pentylcyclohexyl)-2-pyrimidinyl]benzonitrile (CAS 72785-09-2) — formula C22H27N3, molecular weight 333.5; category organic chemicals.
| CAS Number | 72785-09-2 |
|---|---|
| Molecular Formula | C22H27N3 |
| Molecular Weight | 333.5 |
| LogP | 6.5 |
| Applications | General Manufacturing Information: Benzonitrile, 4-[5-(trans-4-pentylcyclohexyl)-2-pyrimidinyl]-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: Benzonitrile, 4-[5-(trans-4-pentylcyclohexyl)-2-pyrimidinyl]-: ACTIVE.
trans-4-[5-(4-Pentylcyclohexyl)-2-pyrimidinyl]benzonitrile is a carbon-based organic compound with CAS registry number 72785-09-2 and molecular formula C22H27N3 (molecular weight 333.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 72785-09-2
Its molecular formula C22H27N3 comprises 22 C, 27 H, 3 N atoms.
Also known as: trans-4-[5-(4-Pentylcyclohexyl)-2-pyrimidinyl]benzonitrile · 反-4-[5-(4-戊基环己基)-2-嘧啶基]苯甲腈
Category: organic chemicals
The CAS registry number of trans-4-[5-(4-Pentylcyclohexyl)-2-pyrimidinyl]benzonitrile is 72785-09-2.
Molecular formula C22H27N3, molecular weight 333.5.
It is also registered under: trans-4-[5-(4-Pentylcyclohexyl)-2-pyrimidinyl]benzonitrile, 反-4-[5-(4-戊基环己基)-2-嘧啶基]苯甲腈.
Recorded applications: General Manufacturing Information: Benzonitrile, 4-[5-(trans-4-pentylcyclohexyl)-2-pyrimidinyl]-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for trans-4-[5-(4-Pentylcyclohexyl)-2-pyrimidinyl]benzonitrile (CAS 72785-09-2), compiled from public chemistry databases.
| CAS 号 | 72785-09-2 |
|---|---|
| PubChem CID | 3085839 |
| 分子式 | C22H27N3 |
| IUPAC 名称 | 4-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]benzonitrile |
| Molecular Weight | 333.5 |
|---|---|
| XLogP3 | 6.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 333.220497874 |
| Monoisotopic Mass | 333.220497874 |
| Topological Polar Surface Area | 49.6 |
| Heavy Atom Count | 25 |
trans-4-(5-(4-Pentylcyclohexyl)-2-pyrimidinyl)benzonitrile; Benzonitrile, 4-[5-(trans-4-pentylcyclohexyl)-2-pyrimidinyl]-; Benzonitrile, 4-(5-(trans-4-pentylcyclohexyl)-2-pyrimidinyl)-; RefChem:566230; 72785-09-2; 4-{5-[(1s,4r)-4-pentylcyclohexyl]pyrimidin-2-yl}benzonitrile; 4-(5-((1s,4r)-4-pentylcyclohexyl)pyrimidin-2-yl)benzonitrile; SCHEMBL9056385; SCHEMBL9056390; DTXSID60888189; XIXOFKHADLKBQN-UAPYVXQJSA-N; XIXOFKHADLKBQN-UHFFFAOYSA-N; trans-p-[5-(4-n-pentylcyclohexyl)-2-pyrimidinyl]benzonitrile
反-4-[5-(4-戊基环己基)-2-嘧啶基]苯甲腈 · CAS 72785-09-2 · C22H27N3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.