(S)-3-Amino-4-(4-iodophenyl)butanoic acid hydrochloride supplier

Name
(S)-3-Amino-4-(4-iodophenyl)butanoic acid hydrochloride
EINECS
CAS No. 270065-70-8
Density 1.733±0.06 g/cm3(Predicted)
Solubility
Melting Point
Formula C₁₀H₁₃ClINO₂
Boiling Point 386.5 °C at 760 mmHg
Molecular Weight 341.57
Flash Point 187.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenebutanoic acid, β-amino-4-iodo-, (betaS)-, hydrochloride (1:1);(3S)-3-Amino-4-(4-iodophenyl)butanoic acid hydrochloride (1:1);(S)-3-Amino-4-(4-iodo-phenyl)-butyric acid-HCl;
PSA 63.32000
LogP 3.13800

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

The (S)-3-Amino-4-(4-iodophenyl)butanoic acid hydrochloride, with the CAS registry number 270065-70-8, is also known as Benzenebutanoic acid, β-amino-4-iodo-, (betaS)-, 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 (3S)-3-amino-4-(4-iodophenyl)butanoic acid hydrochloride.

Physical properties of (S)-3-Amino-4-(4-iodophenyl)butanoic acid hydrochloride are: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.14; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 1.45; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 29.54 Å²; (10)Flash Point: 187.6 °C; (11)Enthalpy of Vaporization: 67.03 kJ/mol; (12)Boiling Point: 386.5 °C at 760 mmHg; (13)Vapour Pressure: 1.15E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(cc1)C[C@H](N)CC(=O)O.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-;/m0./s1
(3)InChIKey: OEKGKNIRLMPHEI-FVGYRXGTSA-N

Product Name

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

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

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