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CAS No.: | 1138-80-3 |
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Name: | N-Carbobenzyloxyglycine |
Article Data: | 109 |
Molecular Structure: | |
Formula: | C10H11NO4 |
Molecular Weight: | 209.202 |
Synonyms: | Benzyloxycarbonylglycine;Carbobenzoxyl glycine;Z-Gly;N-Carboxyglycine N-benzyl ester;Glycine, N-[ (phenylmethoxy)carbonyl]-;N-Carbobenzoxyglycine;(Cbz)gly;glycine, N-[(phenylmethoxy)carbonyl]-;N-[(benzyloxy)carbonyl]glycine;N-(benzyloxycarbonyl)glycine;2-phenylmethoxycarbonylaminoacetic acid;N-CBZ-glycine;Carbobenzoxyglycine;Carbobenzyloxyglycine;2-phenylmethoxycarbonylaminoacetate;Glycine, N-carboxy-, N-benzyl ester;Z-Gly-OH;CBZ-Glycine;Cbz Glycine;Z-Glycine;Cbz-Gly-OH;N-benzyloxycarbonylglycine; |
EINECS: | 214-516-0 |
Density: | 1.289 g/cm3 |
Melting Point: | 118-122 °C(lit.) |
Boiling Point: | 424 °C at 760 mmHg |
Flash Point: | 210.2 °C |
Solubility: | |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xn |
Risk Codes: | 62-36/37/38-20/21/22 |
Safety: | 24/25-36-26 |
PSA: | 75.63000 |
LogP: | 1.38830 |
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The N-Carbobenzyloxyglycine, with the CAS registry number 1138-80-3, is also known as Glycine, N-carboxy-, N-benzyl ester. It belongs to the product categories of Glycine [Gly, G]; Z-Amino Acids and Derivatives; Amino Acids; Amino Acids (N-Protected); Biochemistry; Cbz-Amino Acids; Cbz-Amino Acid Series. Its EINECS registry number is 214-516-0. This chemical's molecular formula is C10H11NO4 and molecular weight is 209.20. Its IUPAC name is called 2-(phenylmethoxycarbonylamino)acetic acid. This chemical's classification code is Reproductive Effect. What's more, it can be used in synthesis of peptide.
Physical properties of N-Carbobenzyloxyglycine: (1)ACD/LogP: 1.37; (2)ACD/LogD (pH 5.5): -0.61; (3)ACD/LogD (pH 7.4): -2.14; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.39; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.554; (12)Molar Refractivity: 52 cm3; (13)Molar Volume: 162.1 cm3; (14)Surface Tension: 53.1 dyne/cm; (15)Density: 1.289 g/cm3; (16)Flash Point: 210.2 °C; (17)Enthalpy of Vaporization: 71.52 kJ/mol; (18)Boiling Point: 424 °C at 760 mmHg; (19)Vapour Pressure: 6.05E-08 mmHg at 25°C.
Preparation: this chemical can be prepared by N-benzyloxycarbonyl-glycine-(4-nitro-benzyl ester). This reaction will need reagent aq. Na2S2O4, aq. Na2CO3 and solvent acetonitrile. The reaction time is 1 h with reaction temperature of 40 °C. The yield is about 85%.
Uses of N-Carbobenzyloxyglycine: it can be used to produce Z-Gly-OMPA by heating. This reaction will need reagent 1 N NaOH and solvent ethanol with reaction time of 3 hours. The yield is about 70%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)COC(=O)NCC(=O)O
(2)InChI: InChI=1S/C10H11NO4/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)
(3)InChIKey: CJUMAFVKTCBCJK-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravaginal | 380mg/kg (380mg/kg) | Journal of Pharmaceutical Sciences. Vol. 68, Pg. 696, 1979. |