Cimaterol (CAS 54239-37-1) — formula C12H17N3O, molecular weight 219.28; category organic chemicals.
| CAS Number | 54239-37-1 |
|---|---|
| Molecular Formula | C12H17N3O |
| Molecular Weight | 219.28 |
| LogP | 1.7 |
| Category | Organic Chemicals |
Cimaterol is a carbon-based organic compound with CAS registry number 54239-37-1 and molecular formula C12H17N3O (molecular weight 219.28), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 54239-37-1
Its molecular formula C12H17N3O comprises 12 C, 17 H, 3 N, 1 O atoms.
Also known as: Cimaterol · 西马特罗
Category: organic chemicals
The CAS registry number of Cimaterol is 54239-37-1.
Molecular formula C12H17N3O, molecular weight 219.28.
It is also registered under: Cimaterol, 西马特罗.
Category: Organic Chemicals.
Independent reference data for Cimaterol (CAS 54239-37-1), compiled from public chemistry databases.
| CAS Registry Number | 54239-37-1 |
|---|---|
| PubChem CID | 2755 |
| Molecular formula | C12H17N3O |
| IUPAC name | 2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile |
| UNII (FDA) | ZPY8VRF0GB |
| Molecular Weight | 219.28 |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 219.137162174 |
| Monoisotopic Mass | 219.137162174 |
| Topological Polar Surface Area | 82.1 |
| Heavy Atom Count | 16 |
| Collision Cross Section | 158.64 Ų [M+H]+ |
|---|
cimaterol; 54239-37-1; cimatrol; Cimaterolum; AB-A 663; AC 263,780; DTXSID2045652; 2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile; ZPY8VRF0GB; ABA-663; AC-263780; AB-A 66; AB-A-66; CL-263,780; DTXCID0025652; 2-amino-5-(1-hydroxy-2-(propan-2-ylamino)ethyl)benzonitrile
| Reported hazard statements | H302 (100%), H317 (100%), H319 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Cimaterol · CAS 54239-37-1 · C12H17N3O. UNII ZPY8VRF0GB. Collision Cross Section: 158.64 Ų [M+H]+.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 西马特罗