t-Boc-N-amido-PEG1-acetic acid - CAS 142929-49-5
Catalog: |
BB009470 |
Product Name: |
t-Boc-N-amido-PEG1-acetic acid |
CAS: |
142929-49-5 |
Synonyms: |
2-(2-((tert-Butoxycarbonyl)amino)ethoxy)acetic acid; N-Boc-2-(2-aminoethoxy)acetic Acid; t-Boc-N-amido-PEG1-CH2CO2H; (2-Boc-Aminoethoxy)acetic acid |
IUPAC Name: | 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid |
Description: | BocNH-PEG1-acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs. |
Molecular Weight: | 219.23 |
Molecular Formula: | C9H17NO5 |
Canonical SMILES: | CC(C)(C)OC(=O)NCCOCC(=O)O |
InChI: | InChI=1S/C9H17NO5/c1-9(2,3)15-8(13)10-4-5-14-6-7(11)12/h4-6H2,1-3H3,(H,10,13)(H,11,12) |
InChI Key: | UPBQMAHYLWJGDW-UHFFFAOYSA-N |
Boiling Point: | 391.2°C at 760 mmHg |
Purity: | 98% |
Density: | 1.2±0.1 g/cm3 |
Appearance: | Powder |
Storage: | Pure form, -20°C, 3 years; 4°C, 2 years; In solvent, -80°C, 6 months; -20°C, 1 month |
LogP: | 1.00320 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.11067264 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.11067264 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 84.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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