ChemSpider 2D Image | 4-(2-{[(2R)-4-(4-Hydroxyphenyl)-2-butanyl]amino}ethyl)-1,2-benzenediol hydrochloride (1:1) | C18H24ClNO3

4-(2-{[(2R)-4-(4-Hydroxyphenyl)-2-butanyl]amino}ethyl)-1,2-benzenediol hydrochloride (1:1)

  • Molecular FormulaC18H24ClNO3
  • Average mass337.841 Da
  • Monoisotopic mass337.144470 Da
  • ChemSpider ID18675987

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,2-Benzenediol, 4-[2-[[(1R)-3-(4-hydroxyphenyl)-1-methylpropyl]amino]ethyl]-, hydrochloride (1:1) [ACD/Index Name]
4-(2-{[(2R)-4-(4-Hydroxyphenyl)-2-butanyl]amino}ethyl)-1,2-benzenediol hydrochloride (1:1) [ACD/IUPAC Name]
4-(2-{[(2R)-4-(4-Hydroxyphényl)-2-butanyl]amino}éthyl)-1,2-benzènediol, chlorhydrate (1:1) [French] [ACD/IUPAC Name]
4-(2-{[(2R)-4-(4-Hydroxyphenyl)-2-butanyl]amino}ethyl)-1,2-benzoldiolhydrochlorid (1:1) [German] [ACD/IUPAC Name]
51062-28-3 [RN]
256-464-1 [EINECS]
49745-95-1 [RN]
Dobutamine hydrochloride
UNII-0WR771DJXV

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

WJP9JTX02O [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 549.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 86.0±0.0 kJ/mol
Flash Point: 285.8±0.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 73 Å2
Polarizability:
Surface Tension:
Molar Volume:

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