HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-carbobenzoxy-serine
CBZ-SER-OH · Z-SER-OH · Z-Ser · CBZ-L-SER-OH · Cbz-Ser · Z-SERINE · CBZ-L-SER · Z-L-SER-OH
Identifiers & Physical Properties
| CAS No. | 1145-80-8 |
|---|---|
| Molecular formula | C11H13NO5 |
| Average molar mass | 239.22 g/mol |
| Monoisotopic mass | 239.07937252 g/mol |
| SMILES | O=C(NC(CO)C(=O)O)OCc1ccccc1 |
| InChIKey | GNIDSOFZAKMQAO-UHFFFAOYSA-N |
| PubChem CID | 76007 |
| EC No. | 220-455-0 |
| DTXSID | DTXSID301308319 |
Chemical & Physical Properties
| XLogP | 0.4 |
|---|---|
| Topological polar surface area | 95.9 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 6 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 263 |
| Melting point | 116-119 °C(lit.) |
| alpha | 6 º (c=7, AcOH) |
| Boiling point | 381.88°C (rough estimate) |
| Density | 1.2967 (rough estimate) |
| Refractive index | 6.1 ° (C=6, AcOH) |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | Acetic Acid (Sparingly), DMSO |
| Physical state | Powder |
| pKa (acidity coefficient) | 3.60±0.10(Predicted) |
| Color | White to cream |
| optical activity | [α]20/D +5.8°, c = 2.7 in acetic acid |
| BRN | 2058314 |
| InChI | InChI=1S/C11H13NO5/c13-6-9(10(14)15)12-11(16)17-7-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,16)(H,14,15)/t9-/m0/s1 |
| InChIKey | GNIDSOFZAKMQAO-VIFPVBQESA-N |
| SMILES | C(O)(=O)[C@H](CO)NC(OCC1=CC=CC=C1)=O |
| CAS DataBase Reference | 1145-80-8(CAS DataBase Reference) |
| FDA UNII | 48KP4476DJ |
| UNSPSC Code | 12352209 |
| NACRES | NA.22 |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H302-H314 |
| GHS precautionary statements | P501-P260-P270-P264-P280-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405 |
| Hazard symbols | Xn |
| Risk statements (R) | 20/21/22-36/37/38 |
| Safety statements (S) | 24/25-36-26 |
| Water hazard class (WGK) | 3 |
| Customs code | 29242990 |
Safety & Regulations
| Water hazard class (WGK) | 3 |
|---|---|
| Customs code | 29242990 |
| Risk statements (R) | 20/21/22-36/37/38 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| Hazard symbols | Xn |
| Safety statements (S) | 24/25-36-26 |
| GHS hazard statements | H302-H314 |
| GHS precautionary statements | P501-P260-P270-P264-P280-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405 |
Applications & Uses
Uses
Starting material for the synthesis of various a-amino acids via the b-lactone
Uses
Building block in peptide synthesis; Starting material for the synthesis of various α-amino acids via the β-lactone
Uses
Building block in peptide synthesis.