Amino-PEG4-t-butyl ester - CAS 581065-95-4
Catalog: |
BB029935 |
Product Name: |
Amino-PEG4-t-butyl ester |
CAS: |
581065-95-4 |
Synonyms: |
Amino-PEG4-COOtBu; H2N-PEG4-CH2CH2COOtBu; tert-Butyl 1-amino-3,6,9,12-tetraoxapentadecan-15-oate |
IUPAC Name: | tert-butyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate |
Description: | tert-Butyl 1-Amino-3,6,9,12-tetraoxa-15-pentadecanoate (CAS# 581065-95-4) is related to antibody-cytotoxin and antibody-drug conjugates and related compounds. |
Molecular Weight: | 321.41 |
Molecular Formula: | C15H31NO6 |
Canonical SMILES: | CC(C)(C)OC(=O)CCOCCOCCOCCOCCN |
InChI: | InChI=1S/C15H31NO6/c1-15(2,3)22-14(17)4-6-18-8-10-20-12-13-21-11-9-19-7-5-16/h4-13,16H2,1-3H3 |
InChI Key: | PKESARRNSGIDRD-UHFFFAOYSA-N |
Boiling Point: | 400.1±35.0 °C at 760 mmHg |
Purity: | >95% |
Density: | 1.0±0.1 g/cm3 |
Appearance: | Pale-yellow to yellow brown liquid |
Storage: | 4°C, protect from light; In solvent, -80°C, 6 months; -20°C, 1 month (protect from light) |
MDL: | MFCD11041116 |
LogP: | 1.44360 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021195295-A1 | Bifunctional molecules and methods of using thereof | 20200324 |
WO-2021152113-A1 | Substituted 2,3-benzodiazepines derivatives | 20200131 |
WO-2021066873-A1 | Condensed heterocycles as bcl-2 inhibitors | 20191003 |
WO-2020253711-A1 | Pyrrolopyridone compound, preparation method therefor, and composition and use thereof | 20190617 |
WO-2020200291-A1 | Compounds and methods of treating cancers | 20190402 |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 321.21513771 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 321.21513771 |
Rotatable Bond Count: | 16 |
Topological Polar Surface Area: | 89.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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