CAS No.270065-71-9,BOC-(S)-3-AMINO-4-(4-IODO-PHENYL)-BUTYRIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	270065-71-9
Name:	BOC-(S)-3-AMINO-4-(4-IODO-PHENYL)-BUTYRIC ACID

Formula:	C₁₅H₂₀INO₄
Molecular Weight:	405.23
Synonyms:	Boc-beta-hophe(4-i)-OH;Boc-4-iodo-l-beta-homophenylalanine;(S)-3-(Boc-amino)-4-(4-iodophenyl)butyric acid;Boc-(s)-3-amino-4-(4-iodo-phenyl)-butyric acid;
Density:	1.516 g/cm³
Boiling Point:	492.2 °C at 760 mmHg
Flash Point:	251.5 °C
Safety:	22-24/25
PSA:	75.63000
LogP:	3.59260

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Specification

The CAS register number of Benzenebutanoic acid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-4-iodo-,(bS)- is 270065-71-9. It also can be called as Boc-4-iodo-l-beta-homophenylalanine and the systematic name about this chemical is (3S)-3-[(tert-butoxycarbonyl)amino]-4-(4-iodophenyl)butanoic acid. The molecular formula about this chemical is C₁₅H₂₀INO₄ and the molecular weight is 405.23. It belongs to the following product categories which include 3-Amino-4-phenylbutyric Acid Analogs; 3-Amino-4-phenylbutanoic Acid Analogs and so on.

Physical properties about Benzenebutanoic acid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-4-iodo-,(bS)- are: (1)ACD/LogP: 4.21; (2)ACD/LogD (pH 5.5): 2.95; (3)ACD/LogD (pH 7.4): 1.17; (4)ACD/BCF (pH 5.5): 51.09; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 254.4; (7)ACD/KOC (pH 7.4): 4.2; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 55.84 Å²; (12)Index of Refraction: 1.572; (13)Molar Refractivity: 87.99 cm³; (14)Molar Volume: 267.2 cm³; (15)Polarizability: 34.88x10^-24cm³; (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.

When you are using this chemical, please be cautious about it as the following:
This chemical is stability. If you want to use it, do not breathe dust and avoid contact with skin and eyes. If you want to store it, you should keep the container tightly sealed in dry, cool places with protection gas. It should keep away from oxide.

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=1/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-/m0/s1
(3)InChIKey: QEKSTALXWONXOD-LBPRGKRZBM
(4)Std. 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-/m0/s1
(5)Std. InChIKey: QEKSTALXWONXOD-LBPRGKRZSA-N