trans-4-[5-(4-heptylcyclohexyl)-2-pyrimidyl]benzonitrile (CAS 72785-10-5) — formula C24H31N3, molecular weight 361.5; category organic chemicals.
| CAS Number | 72785-10-5 |
|---|---|
| Molecular Formula | C24H31N3 |
| Molecular Weight | 361.5 |
| LogP | 7.6 |
| Applications | General Manufacturing Information: Benzonitrile, 4-[5-(trans-4-heptylcyclohexyl)-2-pyrimidinyl]-: INACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: Benzonitrile, 4-[5-(trans-4-heptylcyclohexyl)-2-pyrimidinyl]-: INACTIVE.
trans-4-[5-(4-heptylcyclohexyl)-2-pyrimidyl]benzonitrile is a carbon-based organic compound with CAS registry number 72785-10-5 and molecular formula C24H31N3 (molecular weight 361.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 72785-10-5
Its molecular formula C24H31N3 comprises 24 C, 31 H, 3 N atoms.
Also known as: trans-4-[5-(4-heptylcyclohexyl)-2-pyrimidyl]benzonitrile · 反式-4-[5-(4-庚基环己基)-2-嘧啶基]苯甲腈
Category: organic chemicals
The CAS registry number of trans-4-[5-(4-heptylcyclohexyl)-2-pyrimidyl]benzonitrile is 72785-10-5.
Molecular formula C24H31N3, molecular weight 361.5.
It is also registered under: trans-4-[5-(4-heptylcyclohexyl)-2-pyrimidyl]benzonitrile, 反式-4-[5-(4-庚基环己基)-2-嘧啶基]苯甲腈.
Recorded applications: General Manufacturing Information: Benzonitrile, 4-[5-(trans-4-heptylcyclohexyl)-2-pyrimidinyl]-: INACTIVE.
Category: Organic Chemicals.
Independent reference data for trans-4-[5-(4-heptylcyclohexyl)-2-pyrimidyl]benzonitrile (CAS 72785-10-5), compiled from public chemistry databases.
| CAS 号 | 72785-10-5 |
|---|---|
| PubChem CID | 175153 |
| 分子式 | C24H31N3 |
| IUPAC 名称 | 4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]benzonitrile |
| UNII（FDA） | NS00125998 |
| Molecular Weight | 361.5 |
|---|---|
| XLogP3 | 7.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 8 |
| Exact Mass | 361.251798002 |
| Monoisotopic Mass | 361.251798002 |
| Topological Polar Surface Area | 49.6 |
| Heavy Atom Count | 27 |
72785-10-5; Benzonitrile, 4-[5-(trans-4-heptylcyclohexyl)-2-pyrimidinyl]-; Benzonitrile, 4-(5-(trans-4-heptylcyclohexyl)-2-pyrimidinyl)-; EINECS 276-832-5; 116265-98-6; SCHEMBL10357419; SCHEMBL11061994; DTXSID70888190; VJMNQADPCKONIA-UHFFFAOYSA-N; trans-4-(5-(4-Heptylcyclohexyl)-2-pyrimidinyl)benzonitrile; 4-{5-[(1s,4r)-4-heptylcyclohexyl]pyrimidin-2-yl}benzonitrile; NS00125998; trans-4-(5-(4-Heptylcyclohexyl)-2-pyrimidyl)benzonitrile
反式-4-[5-(4-庚基环己基)-2-嘧啶基]苯甲腈 · CAS 72785-10-5 · C24H31N3. UNII NS00125998.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.