D-Phenylalanine,N-acetyl-4-iodo- supplier

Name
AC-P-IODO-D-PHE-OH
EINECS
CAS No. 201351-59-9
Article Data3
CAS DataBase
Density 1.71 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₂INO₃
Boiling Point 501.4 °C at 760 mmHg
Molecular Weight 333.126
Flash Point 257 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (R)-2-Acetamido-3-(4-iodophenyl)propanoic acid;
PSA 66.40000
LogP 1.81390

D-Phenylalanine,N-acetyl-4-iodo- Specification

The CAS registry number of D-Phenylalanine,N-acetyl-4-iodo- is 201351-59-9. This chemical is also named as (R)-2-Acetamido-3-(4-iodophenyl)propanoic acid. In addition, its molecular formula is C₁₁H₁₂INO₃ and molecular weight is 333.12. Its systematic name is called N-acetyl-4-iodophenylalanine.

Physical properties about D-Phenylalanine,N-acetyl-4-iodo- are: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.48; (4)ACD/LogD (pH 7.4): -1.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.19; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 67.75 cm³; (14)Molar Volume: 194.7 cm³; (15)Surface Tension: 55.2 dyne/cm; (16)Density: 1.71 g/cm³; (17)Flash Point: 257 °C; (18)Enthalpy of Vaporization: 81.1 kJ/mol; (19)Boiling Point: 501.4 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(cc1)CC(C(=O)O)NC(=O)C
(2)InChI: InChI=1/C11H12INO3/c1-7(14)13-10(11(15)16)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)
(3)InChIKey: RTVNNJWKXVLALU-UHFFFAOYAT

Product Name

AC-P-IODO-D-PHE-OH

D-Phenylalanine,N-acetyl-4-iodo- Specification

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