NH-bis(C1-Boc) - CAS 85916-13-8
Catalog: |
BB037766 |
Product Name: |
NH-bis(C1-Boc) |
CAS: |
85916-13-8 |
Synonyms: |
Di-tert-butyl iminodiacetate; tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate |
IUPAC Name: | tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate |
Description: | NH-bis(C1-Boc)is a uncleavable linker used for antibody-drug conjugates (ADC). |
Molecular Weight: | 245.32 |
Molecular Formula: | C12H23NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)CNCC(=O)OC(C)(C)C |
InChI: | InChI=1S/C12H23NO4/c1-11(2,3)16-9(14)7-13-8-10(15)17-12(4,5)6/h13H,7-8H2,1-6H3 |
InChI Key: | SMXMBXPLRFTROI-UHFFFAOYSA-N |
Boiling Point: | 298 ℃ at 760 mmHg |
Melting Point: | 38-42 ℃ (lit.) |
Flash Point: | 134.0±23.2 °C |
Purity: | > 98.0 % |
Density: | 1.011 g/cm3 |
Solubility: | 10 mm in DMSO |
Appearance: | White to tan powder, fiber or crystals |
Storage: | Store at -20 ℃, keep in dry and avoid sunlight. |
MDL: | MFCD01863672 |
LogP: | 2.72 |
Vapor Pressure: | 0.0±0.6 mmHg at 25°C |
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 |
WO-2021113524-A2 | Glp2 receptor agonists and methods of use | 20191204 |
WO-2021113535-A1 | Peptide conjugates and methods of use | 20191204 |
WO-2021013742-A1 | 5,8-disubstituted-[1,2,4]triazolo[1,5-a]pyridinyl and 5,8-disubstituted-imidazo[1,2-a]pyridine derivatives useful as inhibitors of enteropeptidase | 20190719 |
WO-2020111280-A1 | Nucleic acid complex | 20181130 |
EP-3888663-A1 | Nucleic acid complex | 20181130 |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.16270821 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.16270821 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 64.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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