Basic information
- Standard SMILES
COC(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C- InChIKey
NQIFXJSLCUJHBB-UHFFFAOYSA-N- Molecular formula
- C15H21NO5
- Average molar mass
- 295.33 g/mol
- Monoisotopic mass
- 295.14197277
Names & identifiers
- Preferred name
- Methyl 2-((tert-butoxycarbonyl)amino)-3-(4-hydroxyphenyl)propanoate
- IUPAC
- methyl 3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
- English name
- methyl(tert-butoxycarbonyl)-L-tyrosinate
- Molecular formula
- C15H21NO5
- Molecular weight
- 295.33
Names & synonyms
Methyl 2-((tert-butoxycarbonyl)amino)-3-(4-hydroxyphenyl)propanoateMETHYL 2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(4-HYDROXYPHENYL)PROPANOATERefChem:813114819-333-5methyl 2-{[(tert-butoxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoate188576-13-8methyl 3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoateSCHEMBL539575SCHEMBL30374091Boc-D-Tyr-OMe;(R)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(4-hydroxyphenyl)propanoateNQIFXJSLCUJHBB-UHFFFAOYSA-NDTXSID201347386
Show more names
EOS-61364methyl(tert-butoxycarbonyl)-L-tyrosinateTyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester
MFCD13195907Methyl (tert-butoxycarbonyl)tyrosinateAKOS005216873AKOS032947436SB44185PD195996SY523448EN300-53583
Database identifiers
- CAS
188576-13-8- PubChem CID
- 4459028
- DTXSID
DTXSID201347386- EC Number
- 819-333-5
- Nikkaji
- J1.868.983I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Boiling point
- 452.7 · 452.7±40.0 °C(Predicted)
- Density
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- pka
- 9.75 · 9.75±0.15(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers5 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
德州博腾精细化工有限公司[email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
24 records
Linked notes
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