CAS No.159991-23-8,(R)-N-BOC-3-AMINOBUTYRIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	159991-23-8
Name:	(R)-N-BOC-3-AMINOBUTYRIC ACID
Article Data:	31

Formula:	C₉H₁₇NO₄
Molecular Weight:	203.238
Synonyms:	Butanoicacid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)-;(R)-3-(tert-Butoxycarbonylamino)butanoic acid;(R)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid;(3R)-3-[(tert-Butoxycarbonyl)amino]butanoic acid;
Density:	1.101 g/cm³
Melting Point:	104-107 °C
Boiling Point:	339.5 °C at 760 mmHg
Flash Point:	159.1 °C
Hazard Symbols:	T
Risk Codes:	25
Safety:	45
PSA:	75.63000
LogP:	1.76520

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Specification

The Butanoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (3R)- is an organic compound with the formula C₉H₁₇NO₄. The IUPAC name of this chemical is (3R)-3-[(2-Methylpropan-2-yl)oxycarbonylamino]butanoic acid. With the CAS registry number 159991-23-8, it is also named as (R)-N-Boc-3-aminobutyric acid. The product's categories are N-BOC; Beta Amino Acids; Pharmacetical; Amino Acid. Besides, it should be stored at 0 - 5°C.

Physical properties about Butanoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (3R)- are: (1)ACD/LogP: 1.27; (2)ACD/LogD (pH 5.5): 0.01; (3)ACD/LogD (pH 7.4): -1.77; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.43; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 55.84 Å²; (12)Index of Refraction: 1.46; (13)Molar Refractivity: 50.6 cm³; (14)Molar Volume: 184.4 cm³; (15)Polarizability: 20.06×10^-24 cm³; (16)Surface Tension: 37.7 dyne/cm; (17)Density: 1.101 g/cm³; (18)Flash Point: 159.1 °C; (19)Enthalpy of Vaporization: 64.07 kJ/mol; (20)Boiling Point: 339.5 °C at 760 mmHg; (21)Vapour Pressure: 1.69E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H17NO4/c1-6(5-7(11)12)10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m1/s1
(2)InChIKey: PYNDHEONPQYIAN-ZCFIWIBFBF
(3)Std. InChI: InChI=1S/C9H17NO4/c1-6(5-7(11)12)10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m1/s1
(4)Std. InChIKey: PYNDHEONPQYIAN-ZCFIWIBFSA-N