ChemSpider 2D Image | 3-Amino-3-(4-isobutoxy-3-methoxyphenyl)propanoic acid | C14H21NO4

3-Amino-3-(4-isobutoxy-3-methoxyphenyl)propanoic acid

  • Molecular FormulaC14H21NO4
  • Average mass267.321 Da
  • Monoisotopic mass267.147064 Da
  • ChemSpider ID21800589

More details:






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

3-Amino-3-(4-isobutoxy-3-methoxyphenyl)propanoic acid [ACD/IUPAC Name]
3-Amino-3-(4-isobutoxy-3-methoxyphenyl)propansäure [German] [ACD/IUPAC Name]
3-amino-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propanoic acid
Acide 3-amino-3-(4-isobutoxy-3-méthoxyphényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-amino-3-methoxy-4-(2-methylpropoxy)- [ACD/Index Name]
3-Amino-3-(4-isobutoxy-3-methoxyphenyl)-propanoic acid
3-amino-3-(4-isobutoxy-3-methoxyphenyl)-propanoicacid
902745-25-9 [RN]
AGN-PC-050HH2
ALBB-006686
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD12027252 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 409.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 201.3±28.7 °C
Index of Refraction: 1.529
Molar Refractivity: 72.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): -1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 235.7±3.0 cm3

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