2-(4-Cyanophenyl)-5-n-propyl-1,3-dioxane (CAS 80285-16-1) — formula C14H17NO2, molecular weight 231.29; category organic chemicals.
| CAS Number | 80285-16-1 |
|---|---|
| Molecular Formula | C14H17NO2 |
| Molecular Weight | 231.29 |
| LogP | 2.7 |
| Applications | General Manufacturing Information: Benzonitrile, 4-(trans-5-propyl-1, 3-dioxan-2-yl)-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: Benzonitrile, 4-(trans-5-propyl-1, 3-dioxan-2-yl)-: ACTIVE.
2-(4-Cyanophenyl)-5-n-propyl-1,3-dioxane is a carbon-based organic compound with CAS registry number 80285-16-1 and molecular formula C14H17NO2 (molecular weight 231.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 80285-16-1
Its molecular formula C14H17NO2 comprises 14 C, 17 H, 1 N, 2 O atoms.
Also known as: 2-(4-Cyanophenyl)-5-n-propyl-1,3-dioxane · 2-(4-氰基苯基)-5-正丙基-1,3-二恶烷
Category: organic chemicals
The CAS registry number of 2-(4-Cyanophenyl)-5-n-propyl-1,3-dioxane is 80285-16-1.
Molecular formula C14H17NO2, molecular weight 231.29.
It is also registered under: 2-(4-Cyanophenyl)-5-n-propyl-1,3-dioxane, 2-(4-氰基苯基)-5-正丙基-1,3-二恶烷.
Recorded applications: General Manufacturing Information: Benzonitrile, 4-(trans-5-propyl-1, 3-dioxan-2-yl)-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 2-(4-Cyanophenyl)-5-n-propyl-1,3-dioxane (CAS 80285-16-1), compiled from public chemistry databases.
| CAS Registry Number | 80285-16-1 |
|---|---|
| PubChem CID | 173265 |
| Molecular formula | C14H17NO2 |
| IUPAC name | 4-(5-propyl-1,3-dioxan-2-yl)benzonitrile |
| UNII (FDA) | HMS1580B04 |
| Molecular Weight | 231.29 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 231.125928785 |
| Monoisotopic Mass | 231.125928785 |
| Topological Polar Surface Area | 42.3 |
| Heavy Atom Count | 17 |
80285-16-1; 4-(5-Propyl-1,3-dioxan-2-yl)benzonitrile; EINECS 279-441-8; DTXSID901001145; RefChem:97295; DTXCID201034565; 279-441-8; 2-(4-Cyanophenyl)-5-n-propyl-1,3-dioxane; 74240-64-5; Benzonitrile, 4-(trans-5-propyl-1,3-dioxan-2-yl)-; trans-4-(5-Propyl-1,3-dioxan-2-yl)benzonitrile; 4-(5-propyl-1,3-dioxan-2-yl)benzenecarbonitrile; EINECS 277-786-9; 4-[(2r,5r)-5-propyl-1,3-dioxan-2-yl]benzonitrile; SCHEMBL1934042; SCHEMBL1934043
| Reported hazard statements | H302 (100%), H413 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
2-(4-Cyanophenyl)-5-n-propyl-1,3-dioxane · CAS 80285-16-1 · C14H17NO2. UNII HMS1580B04.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-(4-氰基苯基)-5-正丙基-1,3-二恶烷