diphenhydramine (CAS 58-73-1) — formula C17H21NO, molecular weight 255.16 g/mol; category food flavors.
| CAS Number | 58-73-1 |
|---|---|
| Molecular Formula | C17H21NO |
| Molecular Weight | 255.16 g/mol |
| Melting Point | 161-162 |
| Boiling Point | 150-165 °C at 2.00E+00 mm Hg |
| LogP | 3.27 |
| Category | Spice Oils |
diphenhydramine is a flavoring compound with CAS registry number 58-73-1 and molecular formula C17H21NO (molecular weight 255.16 g/mol), belonging to the food flavors segment of chemical raw materials.
CAS number: 58-73-1
Its molecular formula C17H21NO comprises 17 C, 21 H, 1 N, 1 O atoms.
Also known as: diphenhydramine · 苯海拉明
Category: food flavors
The CAS registry number of diphenhydramine is 58-73-1.
Molecular formula C17H21NO, molecular weight 255.16 g/mol.
It is also registered under: diphenhydramine, 苯海拉明.
Category: Spice Oils.
Independent reference data for diphenhydramine (CAS 58-73-1), compiled from public chemistry databases.
| CAS Registry Number | 58-73-1 |
|---|---|
| PubChem CID | 3100 |
| Molecular formula | C17H21NO |
| Molecular weight | 255.16 g/mol |
| IUPAC name | 2-benzhydryloxy-N,N-dimethylethanamine |
| InChIKey | ZZVUWRFHKOJYTH-UHFFFAOYSA-N |
| UNII (FDA) | 8GTS82S83M |
| ChEBI ID | CHEBI:4636 |
| ATC code (WHO) | D04AA32 |
| Molecular Weight | 255.35 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 255.162314293 |
| Monoisotopic Mass | 255.162314293 |
| Topological Polar Surface Area | 12.5 |
| Heavy Atom Count | 19 |
| Boiling Point | 150-165 °C at 2.00E+00 mm Hg |
|---|---|
| Boiling Point | BP: 165 °C at 3 mm Hg |
| Boiling Point | BP: 150-165 °C at 2.0 mm Hg |
| Melting Point | 161-162 |
| Melting Point | 168 °C |
| Solubility | 3060 |
| Solubility | In water, 3.06X10+3 mg/L at 37 °C |
| LogP | 3.27 |
| LogP | log Kow = 3.27 |
| LogP | 3.4 |
diphenhydramine; 58-73-1; Benzhydramine; Alledryl; Probedryl; Dihidral; Antistominum; Benzhydraminum; Benzhydroamina; Diphantine; Baramine; Dermodrin; Desentol; Dibondrin; Histaxin; Benylan
| Reported hazard statements | H302 (100%), H315 (66.7%), H319 (66.7%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
diphenhydramine is identified by CAS 58-73-1, molecular formula C17H21NO and molecular weight 255.16 g/mol. UNII 8GTS82S83M; ChEBI 4636; InChIKey ZZVUWRFHKOJYTH-UHFFFAOYSA-N. Boiling Point: 150-165 °C at 2.00E+00 mm Hg; Boiling Point: BP: 165 °C at 3 mm Hg; Boiling Point: BP: 150-165 °C at 2.0 mm Hg.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 苯海拉明