4-[2-(Boc-amino)ethyl]benzoic Acid - CAS 132690-91-6
Catalog: |
BB007618 |
Product Name: |
4-[2-(Boc-amino)ethyl]benzoic Acid |
CAS: |
132690-91-6 |
Synonyms: |
4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]benzoic acid; 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid |
IUPAC Name: | 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid |
Description: | 4-[2-(Boc-amino)ethyl]benzoic Acid (CAS# 132690-91-6) is a useful research chemical. |
Molecular Weight: | 265.30 |
Molecular Formula: | C14H19NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)NCCC1=CC=C(C=C1)C(=O)O |
InChI: | InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-9-8-10-4-6-11(7-5-10)12(16)17/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17) |
InChI Key: | IIHASBWHDACFGZ-UHFFFAOYSA-N |
Boiling Point: | 440.547 °C at 760 mmHg |
Density: | 1.155 g/cm3 |
Appearance: | Powder |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 2.84290 |
GHS Hazard Statement: | H317 (97.44%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021207291-A1 | Compounds and uses thereof | 20200406 |
WO-2020251969-A1 | Smarca degraders and uses thereof | 20190610 |
WO-2020168017-A1 | Compositions containing, methods and uses of antibody-tlr agonist conjugates | 20190212 |
WO-2020160711-A1 | Imidazo [2, 1-f] [1, 2, 4] triazin-4-amine derivatives as tlr7 agonist | 20190207 |
TW-202045508-A | Imidazo[2,1-f][1,2,4]triazin-4-amine derivatives as tlr7 agonist | 20190207 |
Complexity: | 314 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.13140809 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.13140809 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 75.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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