Boc-(R)-3-amino-4-(4-pyridyl)-butyric acid supplier

Name
Boc-(R)-3-amino-4-(4-pyridyl)-butyric acid
EINECS
CAS No. 269396-68-1
Density 1.175 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₀N₂O₄
Boiling Point 471.2 °C at 760 mmHg
Molecular Weight 280.32
Flash Point 238.8 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Pyridinebutanoicacid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-, (betaR)-;(R)-3-(Boc-amino)-4-(4-pyridyl)butyric acid;(R)-Boc-4-(4-pyridyl)-β-Homoala-OH;Boc-4-(4-pyridyl)-D-β-homoalanine;
PSA 88.52000
LogP 2.38300

Boc-(R)-3-amino-4-(4-pyridyl)-butyric acid Specification

The Boc-(R)-3-amino-4-(4-pyridyl)-butyric acid, with the CAS registry number 269396-68-1, is also known as (R)-Boc-4-(4-pyridyl)-β-Homoala-OH. It belongs to the product category of 3-Amino-4-phenylbutanoic Acid Analogs. This chemical's molecular formula is C₁₄H₂₀N₂O₄ and molecular weight is 280.32. What's more, its systematic name is (3R)-3-[(tert-butoxycarbonyl)amino]-4-pyridin-4-ylbutanoic acid. It is irritant. The product should be sealed and stored in containers with dry inert gas which are placed in cool and dry places. What's more, it should be protected from oxidizers. You should not breathe dust. When using it, you should avoid contacting with skin and eyes.

Physical properties of Boc-(R)-3-amino-4-(4-pyridyl)-butyric acid are: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.05; (4)ACD/LogD (pH 7.4): -1.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.6; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 68.73 Å²; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 73.18 cm³; (15)Molar Volume: 238.3 cm³; (16)Surface Tension: 46.8 dyne/cm; (17)Density: 1.175 g/cm³; (18)Flash Point: 238.8 °C; (19)Enthalpy of Vaporization: 77.32 kJ/mol; (20)Boiling Point: 471.2 °C at 760 mmHg; (21)Vapour Pressure: 1.1E-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](Cc1ccncc1)CC(=O)O
(2)InChI: InChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)16-11(9-12(17)18)8-10-4-6-15-7-5-10/h4-7,11H,8-9H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
(3)InChIKey: BYTKQINZDKLYGV-LLVKDONJSA-N

Product Name

Boc-(R)-3-amino-4-(4-pyridyl)-butyric acid

Boc-(R)-3-amino-4-(4-pyridyl)-butyric acid Specification

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