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Benzyl (2R,3S)-(1-carbamoyl-2-hydroxypropyl)carbamate

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Name

Benzyl (2R,3S)-(1-carbamoyl-2-hydroxypropyl)carbamate

EINECS 256-436-9
CAS No. 49705-98-8 Density 1.263 g/cm3
Solubility Melting Point 103 - 106oC (Decomposes)
Formula C12H16N2O4 Boiling Point 508.4 °C at 760 mmHg
Molecular Weight 252.27 Flash Point 261.3 °C
Transport Information Appearance
Safety 22-24/25 Risk Codes
Molecular Structure Molecular Structure of 49705-98-8 (Carbamic acid,N-[(1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl]-, phenylmethyl ester) Hazard Symbols
Synonyms

Carbamicacid, [(1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl]-, phenylmethyl ester (9CI);Carbamic acid, [1-(aminocarbonyl)-2-hydroxypropyl]-, phenylmethyl ester,[R-(R*,S*)]-;N-(Benzyloxycarbonyl)-L-threonine amide;

 

Benzyl (2R,3S)-(1-carbamoyl-2-hydroxypropyl)carbamate Specification

Benzyl (2R,3S)-(1-carbamoyl-2-hydroxypropyl)carbamate , with the CAS register number 49705-98-8, has the systematic name of benzyl (1-carbamoyl-2-hydroxypropyl)carbamate . And it could also be called as n-alpha-carbobenzoxy-l-threonine amide , n-carbobenzoxy-l-threonine amide , z-l-threoninamide , z-l-threonine amide , z-thr-nh2 , z-threonine-nh2 , carbobenzoxy-l-threonine amide ,etc.

The properties of this kind of chemical are summarized as the listing: (1)ACD/BCF (pH 5.5):  1.96  ; (2)ACD/BCF (pH 7.4):  1.96  ; (3)ACD/KOC (pH 5.5):  56.37  ; (4)ACD/KOC (pH 7.4):  56.31  ; (5)#H bond acceptors:  6  ; (6)#H bond donors:  4  ; (7)#Freely Rotating Bonds:  7  ; (8)Polar Surface Area:  59.08   ; (9)Index of Refraction:  1.561  ; (10)Molar Refractivity:  64.72 cm3  ; (11)Molar Volume:  199.6 cm3  ; (12)Polarizability:  25.65×10-24cm ; (13)Surface Tension:  54 dyne/cm  ; (14)Density:  1.263 g/cm3  ; (15)Flash Point:  261.3 °C  ; (16)Enthalpy of Vaporization:  81.99 kJ/mol  ; (17)Boiling Point:  508.4 °C at 760 mmHg  ; (18)Vapour Pressure:  3.7E-11 mmHg at 25°C .

The product category of Benzyl (2R,3S)-(1-carbamoyl-2-hydroxypropyl)carbamate is Threonine [Thr, T] and this chemical is usually used in the pharmaceutic intermediate, such as applied as the intermediate for the antibiotics Aztreonam .

While dealing with this kind of chemical, remember to follow the below instructions. Do not breathe dust and avoid to contact with skin and eyes. If you want more information about its safety information, you could also refer to WGK Germany  3. As for its store method, you should keep it at the temperature of 20°C below zero.

In addition, you could convert the following data information into the molecular structure:
SMILES: O=C(N)C(NC(=O)OCc1ccccc1)C(O)C
InChI: InChI=1/C12H16N2O4/c1-8(15)10(11(13)16)14-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,15H,7H2,1H3,(H2,13,16)(H,14,17)
InChIKey: PYZXYZOBPGPOFQ-UHFFFAOYAD

As for its market information, you could find many suppliers in China, such as Adamas Reagent which could provide this chemical with the packing of 25g,100g, 500g and Capot Chemical Co., Ltd which with the packing of 1G;5G;10G;25G.

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