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

Name
BOC-(R)-3-AMINO-4-(2-THIENYL)-BUTYRIC ACID
EINECS
CAS No. 269726-89-8
Density 1.216g/cm3
Solubility
Melting Point
Formula C₁₃H₁₉NO₄S
Boiling Point 449.3 °C at 760 mmHg
Molecular Weight 285.36
Flash Point 225.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Thiophenebutanoicacid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-,(betaR)-;
PSA 117.86000
LogP 2.67570

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

The Boc-(R)-3-Amino-4-(2-thienyl)-butyric acid, with the CAS registry number 269726-89-8, is also known as 2-Thiophenebutanoicacid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-,(betaR)-. It belongs to the product categories of 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C₁₃H₁₉NO₄S and molecular weight is 285.36. What's more, its systematic name is (3R)-3-[(tert-butoxycarbonyl)amino]-4-thiophen-2-ylbutanoic acid. It is irritant.

Physical properties of Boc-(R)-3-Amino-4-(2-thienyl)-butyric acid are: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): -0.21; (5)ACD/BCF (pH 5.5): 4.5; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 43.9; (8)6 ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 84.08 Å²; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 73.47 cm³; (15)Molar Volume: 234.6 cm³; (16)Surface Tension: 46.4 dyne/cm; (17)Density: 1.216 g/cm³; (18)Flash Point: 225.6 °C; (19)Enthalpy of Vaporization: 74.61 kJ/mol; (20)Boiling Point: 449.3 °C at 760 mmHg; (21)Vapour Pressure: 7.35E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@@H](Cc1sccc1)CC(=O)O
(2)InChI: InChI=1S/C13H19NO4S/c1-13(2,3)18-12(17)14-9(8-11(15)16)7-10-5-4-6-19-10/h4-6,9H,7-8H2,1-3H3,(H,14,17)(H,15,16)/t9-/m0/s1
(3)InChIKey: USQYZXFFROGLRS-VIFPVBQESA-N

Product Name

BOC-(R)-3-AMINO-4-(2-THIENYL)-BUTYRIC ACID

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

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