Diphenhydramine citrate supplier

Name
Diphenhydramine citrate
EINECS 289-432-0
CAS No. 88637-37-0
Density
Solubility
Melting Point
Formula C₂₃H₂₉NO₈
Boiling Point 343.7 °C at 760 mmHg
Molecular Weight 447.485
Flash Point 101.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms [2-(Diphenylmethoxy)ethyl]dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate;
PSA 144.60000
LogP 2.10570

Diphenhydramine citrate Specification

The Diphenhydramine citrate, with the CAS registry number 88637-37-0, is also known as 2-(Diphenylmethoxy)-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate (1:1). Its EINECS registry number is 289-432-0. This chemical's molecular formula is C₂₃H₂₉NO₈ and molecular weight is 447.48. What's more, its IUPAC name is called 2-Benzhydryloxy-N,N-dimethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid. This chemical is an anticholinergic used as an antiparkinsonian agent.

Physical properties about Diphenhydramine citrate are: (1)ACD/LogP: 3.662; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.79; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 15.29; (7)ACD/KOC (pH 5.5): 3.15; (8)ACD/KOC (pH 7.4): 100.11; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 12.47 Å²; (13)Flash Point: 101.5 °C; (14)Enthalpy of Vaporization: 58.76 kJ/mol; (15)Boiling Point: 343.7 °C at 760 mmHg; (16)Vapour Pressure: 6.9E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(O)(CC(=O)O)CC(=O)O.O(CCN(C)C)C(c1ccccc1)c2ccccc2
(2) InChI: InChI=1S/C17H21NO.C6H8O7/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-12,17H,13-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
(3) InChIKey: SPCKHVPPRJWQRZ-UHFFFAOYSA-N

Product Name

Diphenhydramine citrate

Diphenhydramine citrate Specification

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