Boc-(R)-3-amino-4-(4-iodo-phenyl)-butyric acid supplier

Name
Boc-(R)-3-amino-4-(4-iodo-phenyl)-butyric acid
EINECS
CAS No. 269396-71-6
Article Data1
CAS DataBase
Density 1.516 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₀INO₄
Boiling Point 492.2 °C at 760 mmHg
Molecular Weight 405.23
Flash Point 251.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenebutanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-4-iodo-,(betaR)-;
PSA 75.63000
LogP 3.59260

Boc-(R)-3-amino-4-(4-iodo-phenyl)-butyric acid Specification

The Boc-(R)-3-amino-4-(4-iodo-phenyl)-butyric acid, with the CAS registry number 269396-71-6, is also known as Benzenebutanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-4-iodo-,(betaR)-. 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 C₁₅H₂₀INO₄ and molecular weight is 405.23. What's more, its systematic name is (3R)-3-[(tert-butoxycarbonyl)amino]-4-(4-iodophenyl)butanoic acid. It is irritant.

Physical properties of Boc-(R)-3-amino-4-(4-iodo-phenyl)-butyric acid are: (1)ACD/LogP: 4.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.95; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 51.09; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 254.4; (8)ACD/KOC (pH 7.4): 4.2; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 87.99 cm³; (15)Molar Volume: 267.2 cm³; (16)Surface Tension: 48.4 dyne/cm; (17)Density: 1.516 g/cm³; (18)Flash Point: 251.5 °C; (19)Enthalpy of Vaporization: 79.94 kJ/mol; (20)Boiling Point: 492.2 °C at 760 mmHg; (21)Vapour Pressure: 1.67E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(cc1)C[C@@H](NC(=O)OC(C)(C)C)CC(=O)O
(2)InChI: InChI=1S/C15H20INO4/c1-15(2,3)21-14(20)17-12(9-13(18)19)8-10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1
(3)InChIKey: QEKSTALXWONXOD-GFCCVEGCSA-N

Product Name

Boc-(R)-3-amino-4-(4-iodo-phenyl)-butyric acid

Boc-(R)-3-amino-4-(4-iodo-phenyl)-butyric acid Specification

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