L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-3-iodo- supplier

Name
BOC-PHE(3-I)-OH
EINECS
CAS No. 273221-75-3
Article Data3
CAS DataBase
Density 1.56 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₈INO₄
Boiling Point 491.63 °C at 760 mmHg
Molecular Weight 391.206
Flash Point 251.129 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Iodo-L-phenylalanine, N-BOC protected;(2R)-2-(tert-Butoxycarbonylamino)-3-(3-iodophenyl)propanoic acid;
PSA 75.63000
LogP 3.20250

L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-3-iodo- Specification

The L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-3-iodo-, with the CAS registry number 273221-75-3, is also known as 3-Iodo-L-phenylalanine, N-BOC protected. It belongs to the product category of Amino Acids. This chemical's molecular formula is C₁₄H₁₈INO₄ and molecular weight is 391.2. What's more, its systematic name is (2R)-2-(tert-butoxycarbonylamino)-3-(3-iodophenyl)propanoic acid.

Physical properties of L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-3-iodo- are: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.734; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 6.392; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 75.63 Å²; (11)Index of Refraction: 1.579; (12)Molar Refractivity: 83.365 cm³; (13)Molar Volume: 250.713 cm³; (14)Surface Tension: 49.542 dyne/cm; (15)Density: 1.56 g/cm³; (16)Flash Point: 251.129 °C; (17)Enthalpy of Vaporization: 79.874 kJ/mol; (18)Boiling Point: 491.63 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N[C@H](Cc1cccc(c1)I)C(=O)O
(2)InChI: InChI=1S/C14H18INO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
(3)InChIKey: MPTBEGFNTNOLNZ-LLVKDONJSA-N

Product Name

BOC-PHE(3-I)-OH

L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-3-iodo- Specification

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