-
Name
TRIMIPRAMINE MESILATE
- EINECS 183.3 °C
- CAS No. 25332-13-2
- Density
- Solubility
- Melting Point
- Formula C21H30N2O3S
- Boiling Point 411.8 °C at 760 mmHg
- Molecular Weight 390.54
- Flash Point 183.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms TRIMIPRAMINE MESILATE;10,11-dihydro-N,N,beta-trimethyl-5H-dibenz[b,f]azepine-5-propylamine monomethanesulphonate;10,11-Dihydro-N,N,beta-trimethyl-5H-dibenz(b,f)azepin-5-propylaminmonomethansulfonat;TRIMIPRAMINE MESYLATE/TRIMIPRAMINE MESILATE;Einecs 246-852-9
- PSA 69.23000
- LogP 4.77080
10,11-Dihydro-N,N,beta-trimethyl-5H-dibenz(b,f)azepine-5-propylamine monomethanesulphonate Specification
This chemical is called 10,11-Dihydro-N,N,beta-trimethyl-5H-dibenz(b,f)azepine-5-propylamine monomethanesulphonate, and its CAS registry number is 25332-13-2. With the molecular formula of C21H30N2O3S, its molecular weight is 390.54.
Other characteristics of the 10,11-Dihydro-N,N,beta-trimethyl-5H-dibenz(b,f)azepine-5-propylamine monomethanesulphonate can be summarised as followings: (1)ACD/LogP: 5.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 3.21; (5)ACD/BCF (pH 5.5): 4.47; (6)ACD/BCF (pH 7.4): 55.19; (7)ACD/KOC (pH 5.5): 13.99; (8)ACD/KOC (pH 7.4): 172.58; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 6.48 Å2; (13)Flash Point: 183.3 °C; (14)Enthalpy of Vaporization: 66.43 kJ/mol; (15)Boiling Point: 411.8 °C at 760 mmHg; (16)Vapour Pressure: 5.45E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(O)C.c1cc3c(cc1)CCc2c(cccc2)N3CC(C)CN(C)C
2.InChI: InChI=1/C20H26N2.CH4O3S/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22;1-5(2,3)4/h4-11,16H,12-15H2,1-3H3;1H3,(H,2,3,4)
3.InChIKey: KPPOZKAGJSXVND-UHFFFAOYAR
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