Boc-(S)-3-Amino-4-(2,4-dichlorophenyl)butyric acid supplier

Name
BOC-(S)-3-AMINO-4-(2,4-DICHLORO-PHENYL)-BUTYRIC ACID
EINECS
CAS No. 270063-48-4
Density 1.294 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₉Cl₂NO₄
Boiling Point 492.948 °C at 760 mmHg
Molecular Weight 348.226
Flash Point 251.926 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenebutanoic acid,2,4-dichloro-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-,(betaS)-;
PSA 75.63000
LogP 4.29480

Boc-(S)-3-Amino-4-(2,4-dichlorophenyl)butyric acid Specification

The Boc-(S)-3-Amino-4-(2,4-dichloro-phenyl)-butyric acid, with the CAS registry number 270063-48-4, is also known as Benzenebutanoic acid,2,4-dichloro-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-,(betaS)-. It belongs to the product categories of 3-Amino-4-phenylbutyric Acid Analogs; 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C₁₅H₁₉Cl₂NO₄ and molecular weight is 348.22. What's more, its systematic name is (3S)-3-[(tert-butoxycarbonyl)amino]-4-(2,4-dichlorophenyl)butanoic acid. It is irritant.

Physical properties of Boc-(S)-3-Amino-4-(2,4-dichloro-phenyl)-butyric acid are: (1)ACD/LogP: 4.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.07; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 60.86; (6)ACD/BCF (pH 7.4): 1.03; (7)ACD/KOC (pH 5.5): 278.39; (8)ACD/KOC (pH 7.4): 4.69; (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: 1.543; (14)Molar Refractivity: 84.88 cm³; (15)Molar Volume: 269 cm³; (16)Surface Tension: 46.1 dyne/cm; (17)Density: 1.294 g/cm³; (18)Flash Point: 251.9 °C; (19)Enthalpy of Vaporization: 80.04 kJ/mol; (20)Boiling Point: 492.9 °C at 760 mmHg; (21)Vapour Pressure: 1.56E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Cl)ccc1C[C@H](NC(=O)OC(C)(C)C)CC(=O)O
(2)InChI: InChI=1S/C15H19Cl2NO4/c1-15(2,3)22-14(21)18-11(8-13(19)20)6-9-4-5-10(16)7-12(9)17/h4-5,7,11H,6,8H2,1-3H3,(H,18,21)(H,19,20)/t11-/m0/s1
(3)InChIKey: HGGWEUIYPYFHNX-NSHDSACASA-N

Product Name

BOC-(S)-3-AMINO-4-(2,4-DICHLORO-PHENYL)-BUTYRIC ACID

Boc-(S)-3-Amino-4-(2,4-dichlorophenyl)butyric acid Specification

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