CAS No.86299-47-0,(Z)-2-Amino-alpha-[1-(tert-butoxycarbonyl)]-1-methylethoxyimino-4-thiazolacetic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	86299-47-0
Name:	(Z)-2-Amino-alpha-[1-(tert-butoxycarbonyl)]-1-methylethoxyimino-4-thiazolacetic acid

Formula:	C₁₃H₁₉N₃O₅S
Molecular Weight:	329.377
Synonyms:	4-Thiazoleaceticacid, 2-amino-a-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-,(Z)-;(Z)-(2-Aminothiazol-4-yl)-2-(2-tert-butoxycarbonyl-2-propoxyimino)aceticacid;(Z)-2-(2-Aminothiazol-4-yl)-2-[(1-tert-butoxycarbonyl-1-methylethoxy)imino]aceticacid;
Density:	1.34 g/cm³
Melting Point:	180 ºC (dec.)(lit.)
Boiling Point:	487.8 ºC at 760 mmHg
Flash Point:	248.8 ºC
Appearance:	white powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	152.34000
LogP:	2.23210

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Specification

The 4-Thiazoleacetic acid,2-amino-a-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-,(aZ)-, with the CAS registry number 86299-47-0, has the systematic name of (2Z)-(2-amino-1,3-thiazol-4-yl)[(2-tert-butoxy-1,1-dimethyl-2-oxoethoxy)imino]ethanoic acid. For being a kind of white powder, it is usually applied as the pharmaceutic intermediate and it belongs to the product categories of cephalosporins.

The characteristics of this chemical are as follows: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.77 ; (4)ACD/LogD (pH 7.4): -1.83; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 118.56; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 81.21 cm³; (15)Molar Volume: 245.3 cm³; (16)Polarizability: 32.19 ×10^-24 cm³; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 248.8 °C; (20)Enthalpy of Vaporization: 79.39 kJ/mol; (21)Boiling Point: 487.8 °C at 760 mmHg ; (22)Vapour Pressure: 2.49E-10 mmHg at 25°C.

When you are dealing with this chemical, you should be very careful. This is irritant which may cause inflammation to the skin or other mucous membranes, and it is irritating to eyes, respiratory system and skin. Therefore, you should take the following instructions. Wear suitable protective clothing and gloves, and if in case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).

Additionally, you could convert the following datas into the molecular structure:
(1)SMILES:O=C(OC(C)(C)C)C(O\N=C(\c1nc(sc1)N)C(=O)O)(C)C
(2)InChI:InChI=1/C13H19N3O5S/c1-12(2,3)20-10(19)13(4,5)21-16-8(9(17)18)7-6-22-11(14)15-7/h6H,1-5H3,(H2,14,15)(H,17,18)/b16-8-
(3)InChIKey:FNRZBOJFRDVEOG-PXNMLYILBT