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(R)-3-Amino-4-(4-iodophenyl)butanoic acid hydrochloride

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  • Name (R)-3-Amino-4-(4-iodophenyl)butanoic acid hydrochloride
  • EINECS200-258-5
  • CAS No. 269396-70-5
  • Density1.733±0.06 g/cm3(Predicted)
  • PSA63.32000
  • LogP3.13800
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC10H13ClINO2
  • Boiling Point413.5 °C at 760 mmHg
  • Molecular Weight341.57300
  • Flash Point203.9 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 269396-70-5 ((R)-3-Amino-4-(4-iodophenyl)butanoic acid hydrochloride)
  • Hazard SymbolsN/A
  • SynonymsN/A

(R)-3-Amino-4-(4-iodophenyl)butanoic acid hydrochloride Specification

The (R)-3-Amino-4-(4-iodophenyl)butanoic acid hydrochloride, with the CAS registry number 269396-70-5, is also known as Benzenebutanoic acid, β-amino-4-iodo-, (betaR)-, hydrochloride (1:1). It belongs to the product categories of 3-Amino-4-phenylbutyric Acid Analogs; 3-Amino-4-phenylbutanoic Acid Analogs. This chemical's molecular formula is C10H13ClINO2 and molecular weight is 341.57. What's more, its systematic name is (3R)-3-amino-4-(4-iodophenyl)butanoic acid hydrochloride. It is irritant.

Physical properties of (R)-3-Amino-4-(4-iodophenyl)butanoic acid hydrochloride are: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 63.32 Å2; (7)Flash Point: 203.9 °C; (8)Enthalpy of Vaporization: 70.26 kJ/mol; (9)Boiling Point: 413.5 °C at 760 mmHg; (10)Vapour Pressure: 1.4E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(C[C@@H](N)CC(O)=O)cc1.Cl
(2)InChI: InChI=1S/C10H12INO2.ClH/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14;/h1-4,9H,5-6,12H2,(H,13,14);1H/t9-;/m1./s1
(3)InChIKey: OEKGKNIRLMPHEI-SBSPUUFOSA-N

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