Dobutaminum [INN-Latin] supplier

Name
dobutamine hydrobromide
EINECS 277-982-4
CAS No. 74753-15-4
Density 1.189 g/cm³
Solubility
Melting Point
Formula C₁₈H₂₃NO₃
Boiling Point 527.7 °C at 760 mmHg
Molecular Weight 301.3801
Flash Point 169.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Dobutamine [USAN];52663-81-7;4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol;LY 81929;Dobutamine hydrobromide;(+-)-4-(2-((3-(p-Hydroxyphenyl)-1-methylpropyl)amino)ethyl)pyrocatechol;Dobutamina [INN-Spanish];34368-04-2;1,2-Benzenediol, 4-(2-((3-(4-hydroxyphenyl)-1-methylpropyl)amino)ethyl)-, (+-)-;Dobutamine [USAN:BAN:INN];racemic-Dobutamine;
PSA
LogP

Dobutaminum [INN-Latin] Specification

The Dobutaminum [INN-Latin] is an organic compound with the formula C₁₈H₂₃NO₃. The IUPAC name of this chemical is 4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol. With the CAS registry number 74753-15-4, it is also named as 1,2-benzenediol, 4-[2-[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]ethyl]-.

Physical properties about Dobutaminum [INN-Latin] are: (1)ACD/LogP: 1.94; (2)ACD/LogD (pH 5.5): -1.15; (3)ACD/LogD (pH 7.4): -0.61; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 10; (11)Polar Surface Area: 30.93 Å²; (12)Index of Refraction: 1.611; (13)Molar Refractivity: 88.01 cm³; (14)Molar Volume: 253.4 cm³; (15)Polarizability: 34.89×10^-24cm³; (16)Surface Tension: 53.5 dyne/cm; (17)Density: 1.189 g/cm³; (18)Flash Point: 169.8 °C; (19)Enthalpy of Vaporization: 83.25 kJ/mol; (20)Boiling Point: 527.7 °C at 760 mmHg; (21)Vapour Pressure: 9.41E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1O)CCNC(C)CCc2ccc(O)cc2
(2)InChI: InChI=1/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3
(3)InChIKey: JRWZLRBJNMZMFE-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3
(5)Std. InChIKey: JRWZLRBJNMZMFE-UHFFFAOYSA-N

Product Name

dobutamine hydrobromide

Dobutaminum [INN-Latin] Specification

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