Basic information
- CAS
1138-80-3- Standard SMILES
O=C(O)CNC(=O)OCc1ccccc1- InChIKey
CJUMAFVKTCBCJK-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Overview
N-benzyloxycarbonylglycine is a derivative of glycine having a benzyloxycarbonyl protecting group attached to the nitrogen. It is a conjugate acid of a N-benzyloxycarbonylglycinate.
Names & identifiers
- Preferred name
- Benzyloxycarbonylglycine
- IUPAC
- 2-(phenylmethoxycarbonylamino)acetic acid
- English name
- N-Carbobenzyloxyglycine
- Molecular formula
- C10H11NO4
- Molecular weight
- 209.2
Names & synonyms
1138-80-3N-BenzyloxycarbonylglycineN-CBZ-glycineN-CarbobenzoxyglycineCarbobenzyloxyglycineCarbobenzoxyglycine(Cbz)glyBenzyloxycarbonylglycineGlycine, N-[(phenylmethoxy)carbonyl]-Z-Gly2-(phenylmethoxycarbonylamino)acetic acidCarbobenzoxyl glycine
Show more names
Z-GLY-OHCBZ-GLY-OHZ-GLYCINECBZ-GLYCINE
N-Carboxyglycine N-benzyl esterN-((Phenylmethoxy)carbonyl)glycineCBZ-GLYNSC-2526Glycine, N-((phenylmethoxy)carbonyl)-8H79QYG43GDTXSID8061559CHEBI:16532
Database identifiers
- CAS
1138-80-3- PubChem CID
- 14349
- DTXSID
DTXSID8061559- ChEMBL
CHEMBL101287- ChEBI
CHEBI:16532- UNII
- 8H79QYG43G
- EC Number
- 214-516-0
- Nikkaji
- J80.195J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 223
Experimental & physicochemical properties
Chemical ClassesBiological Agents -> Amino Acids and Derivatives
LogP1.47
Physical DescriptionWhite powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 118 · 118-122 °C(lit.)
- Boiling point
- 348.55 °C · 348.55°C (rough estimate)
- Density
- 1.2944 · 1.2944 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- 0.1 g/mL, · methanol: 0.1 g/mL, clear
- form
- Fine Crystalline Powder
- pka
- 3.98 · 3.98±0.10(Predicted)
- color
- White
- Water Solubility
- Soluble in methanol. Insoluble in water.
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 66.7% (6 of 9) of all reports.
Warning
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 16-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/27346
Glycine, N-(phenylmethoxy)carbonyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; Reproductive effects observed in experimental animals; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- MB9129000
- hs_code
- 29242995
- Toxicity
- mouse,LD50,intravaginal,380mg/kg (380mg/kg),Journal of Pharmaceutical Sciences. Vol. 68, Pg. 696, 1979.
- risk_code
- 62-36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationGlycine, N-[(phenylmethoxy)carbonyl]-: INACTIVE
Applications
UsesN-Carbobenzoxyglycine is used in the dipeptide synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
294 records
Compound notes
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