CAS No.45121-22-0,BOC-D-ABU-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	45121-22-0
Name:	BOC-D-ABU-OH
Article Data:	2

Formula:	C₉H₁₇NO₄
Molecular Weight:	203.238
Synonyms:	Butanoicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)-;(2R)-2-[(tert-Butoxycarbonyl)amino]butanoicacid;(R)-2-(((tert-Butoxy)carbonyl)amino)butanoic acid;(R)-2-[(tert-Butoxycarbonyl)amino]butanoic acid;2-(R)-tert-Butoxycarbonylaminobutyric acid;
Density:	1.102 g/cm³
Boiling Point:	334.517 °C at 760 mmHg
Flash Point:	156.11 °C
PSA:	75.63000
LogP:	1.76520

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Specification

The (R)-N-Boc-2-aminobutyric acid, with the CAS registry number 45121-22-0, is also known as 2-(R)-tert-Butoxycarbonylaminobutyric acid. This chemical's molecular formula is C₉H₁₇NO₄ and molecular weight is 203.24. What's more, its systematic name is (2R)-2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid. This chemical should be sealed and stored in a cool and dry place.

Physical properties of (R)-N-Boc-2-aminobutyric acid are: (1)ACD/LogP: 1.398; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.56; (4)ACD/LogD (pH 7.4): -2.10; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.51; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 75.63 Å²; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 50.603 cm³; (15)Molar Volume: 184.445 cm³; (16)Polarizability: 20.061×10^-24cm³; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 1.102 g/cm³; (19)Flash Point: 156.11 °C; (20)Enthalpy of Vaporization: 63.473 kJ/mol; (21)Boiling Point: 334.517 °C at 760 mmHg; (22)Vapour Pressure: 0 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](C(=O)O)CC
(2)Std. InChI: InChI=1S/C9H17NO4/c1-5-6(7(11)12)10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m1/s1
(3)Std. InChIKey: PNFVIPIQXAIUAY-ZCFIWIBFSA-N