diphenhydramine

Description

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.

Identification

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

Computed Descriptors

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
Formal Charge	0

Physical & Chemical Properties

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

Physical description & handling notes

• Solid
• Oil
• Crystals from absolute alcohol + ether; mp: 166-170 °C; bitter taste; pH of 1% aqueous solution about 5.5; 1 g dissolves in: 1 mL water, 2 mL alcohol, 50 mL acetone, 2 mL chloroform; very slightly soluble in benzene, ether. Slowly darkens on exposure to light. Stable under ordinary conditions. /Diphenhydramine hydrochloride/
• Slowly darkens on exposure to light. Stable under ordinary conditions /Diphenhydramine hydrochloride/
• 168.8 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4020537]
• 237.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4020537]

GHS Hazard Classification

Reported hazard statements	H302 (100%), H315 (66.7%), H319 (66.7%)

Documented Uses

• Anesthetics, Local; Anti-Allergic Agents; Antiemetics; Histamine H1 Antagonists; Hypnotics and Sedatives
• Use (kg; approx.) in Germany (2009): >2500
• Consumption (g per capita; approx.) in Germany (2009): 0.0305
• Consumption (g per capita) in the USA (2002): 0.0479
• For the treatment of symptoms associated with Vertigo/Meniere's disease, nausea and vomiting, motion sickness and insect bite.
• Pharmaceuticals -> Animal Drugs -> Approved in Taiwan

Synonyms

diphenhydramine; 58-73-1; Benzhydramine; Alledryl; Probedryl; Dihidral; Antistominum; Benzhydraminum; Benzhydroamina; Diphantine; Baramine; Dermodrin; Desentol; Dibondrin; Histaxin; Benylan

Frequently Asked Questions

What are the CAS number and molecular formula of diphenhydramine?

CAS 58-73-1; molecular formula C17H21NO; molecular weight 255.16 g/mol.

What other names is diphenhydramine known by?

diphenhydramine, 58-73-1, Benzhydramine, Alledryl, Probedryl, Dihidral.

Is diphenhydramine classified as hazardous?

Hazard statements reported: H302, H315, H319.

What are the key physical properties of diphenhydramine?

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.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.