CAS No.63039-48-5,(S)-N-BOC-Propargylglycine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	63039-48-5
Name:	(S)-N-BOC-Propargylglycine
Article Data:	5

Formula:	C₁₀H₁₅NO₄
Molecular Weight:	213.233
Synonyms:	4-Pentynoicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (S)-;(2S)-2-[[[(1,1-Dimethylethyl)oxy]carbonyl]amino]-4-pentynoicacid;Boc-L-propargylglycine;
Density:	1.154 g/cm³
Melting Point:	85.5 °C
Boiling Point:	365.2 °C at 760 mmHg
Flash Point:	174.7 °C
Solubility:	Soluble in water.
Appearance:	off-white to light yellow crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	24/25
PSA:	75.63000
LogP:	1.37850

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Specification

The CAS register number of 4-Pentynoicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2S)- is 63039-48-5. It also can be called as (S)-N-tert-Butoxycarbonyl-2-amino-4-pentynoic acid and the IUPAC name about this chemical is (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoic acid. The molecular formula about this chemical is C₁₀H₁₅NO₄and the molecular weight is 213.23. It belongs to the following product categories, such as Amino Acids; Unusual amino acids; Amino Acid Derivatives and so on. When you are using it, please avoid contact with skin and eyes.

Physical properties about 4-Pentynoicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2S)- are: (1)ACD/LogP: 1.75; (2)ACD/LogD (pH 5.5): -0.62; (3)ACD/LogD (pH 7.4): -1.89; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (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: 55.84Å²; (12)Index of Refraction: 1.486; (13)Molar Refractivity: 53.06 cm³; (14)Molar Volume: 184.7 cm³; (15)Polarizability: 21.03x10^-24cm³; (16)Surface Tension: 44 dyne/cm; (17)Enthalpy of Vaporization: 67.16 kJ/mol; (18)Boiling Point: 365.2 °C at 760 mmHg; (19)Vapour Pressure: 2.49E-06 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#C
(2)InChI: InChI=1/C10H15NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h1,7H,6H2,2-4H3,(H,11,14)(H,12,13)/t7-/m0/s1
(3)InChIKey: AMKHAJIFPHJYMH-ZETCQYMHBW
(4)Std. InChI: InChI=1S/C10H15NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h1,7H,6H2,2-4H3,(H,11,14)(H,12,13)/t7-/m0/s1
(5)Std. InChIKey: AMKHAJIFPHJYMH-ZETCQYMHSA-N