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Name |
Epinastine hydrobromide |
EINECS | 821-693-3 |
CAS No. | 127786-29-2 | Density | N/A |
PSA | 41.62000 | LogP | 3.62580 |
Solubility | N/A | Melting Point |
284-286° |
Formula | C16H16BrN3 | Boiling Point | 428 °C at 760 mmHg |
Molecular Weight | 330.227 | Flash Point | 212.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-Dibenz[c,f]imidazo[1,5-a]azepin-3-amine,9,13b-dihydro-, monohydrobromide (9CI); |
Article Data | 4 |
The Epinastine hydrobromide, with the cas registry number 127786-29-2, has the systematic name of 9,13b-dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-3-amine hydrobromide. And the molecular formula of the chemical is C16H16BrN3.
The characteristics of this chemical are as followings: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44 ; (4)ACD/LogD (pH 7.4): 1.48; (5)ACD/BCF (pH 5.5): 2.43; (6)ACD/BCF (pH 7.4): 2.63; (7)ACD/KOC (pH 5.5): 17.75; (8)ACD/KOC (pH 7.4): 19.2; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 18.84 Å2; (13)Flash Point: 212.7 °C; (14)Enthalpy of Vaporization: 68.31 kJ/mol; (15)Boiling Point: 428 °C at 760 mmHg; (16)Vapour Pressure: 1.56E-07 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Br.N\4=C(\N3c1c(cccc1)Cc2c(cccc2)C3C/4)N
(2)InChI: InChI=1/C16H15N3.BrH/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16;/h1-8,15H,9-10H2,(H2,17,18);1H
(3)InChIKey: ADPMHRDERZTFIN-UHFFFAOYAB