Basic information
- CAS
4668-42-2- Standard SMILES
COC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1- InChIKey
MFFFBNAPQRDRQW-JTQLQIEISA-N- Molecular formula
- C13H15NO6
- Average molar mass
- 281.26 g/mol
- Monoisotopic mass
- 281.0899372
Names & identifiers
- Preferred name
- Z-Asp-OMe
- IUPAC
- (3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
- English name
- Z-ASP-OME
- Molecular formula
- C13H15NO6
- Molecular weight
- 281.26
Names & synonyms
Z-Asp-OMe4668-42-2DTXSID80427397RefChem:388512DTXCID00378231626-932-3Z-L-Asp-OMeMFCD00083277N-Cbz-L-Aspartic acid 1-methyl ester(S)-3-(((Benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acidL-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 1-methyl ester(3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
Show more names
Cbz-L-Asp-OMeZ-ASPARTIC ACID-OMEZ-ASP-OME USP/EP/BPZ-L-ASPARTIC ACID A-METHYLESTERZ-L-ASPARTIC ACID 1-METHYL ESTERCbz -L-asparticacidα-methylester
1-Methyl N-Cbz-L-aspartate(3S)-3-{[(BENZYLOXY)CARBONYL]AMINO}-4-METHOXY-4-OXOBUTANOIC ACIDCbz-Asp-OMeSCHEMBL1067460CS-W010044HY-W009328M03042N-Benzyloxycarbonyl-L-aspartic acid 1-methyl ester
Database identifiers
- CAS
4668-42-2- PubChem CID
- 7021783
- DTXSID
DTXSID80427397- EC Number
- 626-932-3
- Nikkaji
- J1.412.347D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Melting point
- 89 to · 89.0 to 93.0 °C
- Boiling point
- 498.9 · 498.9±45.0 °C(Predicted)
- Density
- 1.304 · 1.304±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 4.09 · 4.09±0.19(Predicted)
- color
- White to Almost white
- BRN
- 4813538 · 4813538
- Major Application
- peptide synthesis
- InChI
- 1S/C13H15NO6/c1-19-12(17)10(7-11(15)16)14-13(18)20-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,18)(H,15,16)/t10-/m0/s1
- InChIKey
- MFFFBNAPQRDRQW-JTQLQIEISA-N
- SMILES
- COC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1
- CAS DataBase Reference
- 4668 · 4668-42-2(CAS DataBase Reference)
- UNSPSC Code
- 12352209 · 12352209
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Eye Dam. 1 (100%)；Acute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29224999
- risk_code
- 20/22-37-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H332-H318
Chemistry & industry
Applications
Usespeptide synthesis
Upstream & downstream products
Upstream raw materials
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
Related reactions
6 records
Compound notes
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