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Search term: CN[C@@H](C(O)=O)c1ccc(O)cc1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (2R)-(4-Hydroxyphenyl)(methylamino)acetic acid | C9H11NO3

(2R)-(4-Hydroxyphenyl)(methylamino)acetic acid

  • Molecular FormulaC9H11NO3
  • Average mass181.189 Da
  • Monoisotopic mass181.073898 Da
  • ChemSpider ID59053800

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-(4-Hydroxyphenyl)(methylamino)acetic acid [ACD/IUPAC Name]
(2R)-(4-Hydroxyphenyl)(methylamino)essigsäure [German] [ACD/IUPAC Name]
(2R)-2-(4-hydroxyphenyl)-2-(methylamino)ethanoic acid
Acide (2R)-(4-hydroxyphényl)(méthylamino)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-hydroxy-α-(methylamino)-, (αR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 343.0±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.9±3.0 kJ/mol
Flash Point: 161.2±25.1 °C
Index of Refraction: 1.586
Molar Refractivity: 47.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -1.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 70 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 141.4±3.0 cm3

Click to predict properties on the Chemicalize site


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