Diethyl benzyliminodiacetate - CAS 17136-37-7
Catalog: |
BB012740 |
Product Name: |
Diethyl benzyliminodiacetate |
CAS: |
17136-37-7 |
Synonyms: |
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate |
IUPAC Name: | ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate |
Description: | Diethyl benzyliminodiacetate (CAS# 17136-37-7 ) is a useful research chemical. |
Molecular Weight: | 279.33 |
Molecular Formula: | C15H21NO4 |
Canonical SMILES: | CCOC(=O)CN(CC1=CC=CC=C1)CC(=O)OCC |
InChI: | InChI=1S/C15H21NO4/c1-3-19-14(17)11-16(12-15(18)20-4-2)10-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3 |
InChI Key: | HIZZJSBSOJLOQQ-UHFFFAOYSA-N |
Boiling Point: | 324-325 ℃ (lit.) |
Density: | 1.076 g/mL at 25 ℃(lit.) |
MDL: | MFCD04039934 |
LogP: | 1.61480 |
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-2021046549-A1 | Compositions and methods for the treatment of viral infections | 20190906 |
US-10654032-B2 | Recyclable catalysts for chlorination of organic acids and alcohols | 20160323 |
US-2017274362-A1 | Recyclable catalysts for chlorination of organic acids and alcohols | 20160323 |
EP-2949647-A1 | Deuterated phenyl amino pyrimidine compound and pharmaceutical composition containing same | 20130128 |
JP-2016515997-A | Deuterated phenylaminopyrimidine compound and drug composition containing the compound | 20130128 |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 279.14705815 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 279.14705815 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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