CAS No.1152-61-0,N-Carbobenzyloxy-L-aspartic acid Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1152-61-0
Name:	N-Carbobenzyloxy-L-aspartic acid
Article Data:	42

Formula:	C₁₂H₁₃NO₆
Molecular Weight:	267.238
Synonyms:	Asparticacid, N-carboxy-, N-benzyl ester (6CI,7CI);Aspartic acid, N-carboxy-, N-benzylester, L- (8CI);Benzyloxycarbonyl-L-aspartic acid;Carbobenzoxy-L-asparticacid;Cbz-Asp-OH;N-(Benzyloxycarbonyl)-L-aspartic acid;N-Benzyloxylcarbonyl-L-aspartic acid;N-Carbobenzoxy-L-aspartic acid;NSC 88479;NSC 9972;Z-Asp-OH;
EINECS:	214-568-4
Density:	1.404 g/cm³
Melting Point:	117-119 °C(lit.)
Boiling Point:	472.8 °C at 760 mmHg
Flash Point:	239.7 °C
Appearance:	white fine crystalline powder
Hazard Symbols:	Xi,Xn
Risk Codes:	36/37/38-20/21/22
Safety:	26-36-37/39
PSA:	112.93000
LogP:	1.23160

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Specification

The CAS register number of N-Carbobenzyloxy-L-aspartic acid is 1152-61-0. It also can be called as N-(Benzyloxycarbonyl)-L-aspartic acid and the IUPAC name about this chemical is 2-(phenylmethoxycarbonylamino)butanedioic acid. The molecular formula about this chemical is C₁₂H₁₃NO₆and the molecular weight is 267.24. It belongs to the following product categories, such as Protected Amino Acids; Amino Acid Derivatives; Protected Amino Acid & Peptides; Aspartic acid [Asp, D]; Z-Amino Acids and Derivatives; Amino Acids; Amino Acids (N-Protected); Biochemistry; Cbz-Amino Acids; Chiral Compounds; Z-Amino acid series and so on. This chemical can be used for biochemical reagents and synthesis of peptide. If you want to store this chemical, please keep it in a tightly closed container and store it in a cool, dry, well-ventilated area away from incompatible substances, the storage temperature must be 2 °C -8 °C.

Physical properties about N-Carbobenzyloxy-L-aspartic acid are: (1)ACD/LogP: 1.72; (2)ACD/LogD (pH 5.5): -1.3; (3)ACD/LogD (pH 7.4): -3.01; (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: 7; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 82.14 Å²; (12)Index of Refraction: 1.574; (13)Molar Refractivity: 62.79 cm³; (14)Molar Volume: 190.2 cm³; (15)Polarizability: 24.89x10^-24cm³; (16)Surface Tension: 63.3 dyne/cm; (17)Enthalpy of Vaporization: 77.52 kJ/mol; (18)Boiling Point: 472.8 °C at 760 mmHg; (19)Vapour Pressure: 9.58E-10 mmHg at 25°C.

Preparation: this chemical can be prepared by carbonochloridic acid benzyl ester and aspartic acid. The yield is about 63 %.

Uses of N-Carbobenzyloxy-L-aspartic acid: it can be used to produce 2-benzyloxycarbonylamino-acrylic acid at heating. This reaction will need reagent NaOCl and solvent H₂O, methanol. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@@H](C(=O)O)NC(=O)OCc1ccccc1
(2)InChI: InChI=1/C12H13NO6/c14-10(15)6-9(11(16)17)13-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17)/t9-/m0/s1
(3)InChIKey: XYXYXSKSTZAEJW-VIFPVBQEBV
(4)Std. InChI: InChI=1S/C12H13NO6/c14-10(15)6-9(11(16)17)13-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17)/t9-/m0/s1
(5)Std. InChIKey: XYXYXSKSTZAEJW-VIFPVBQESA-N