tert-Butyl 3-Aminobenzoate - CAS 92146-82-2
Catalog: |
BB040440 |
Product Name: |
tert-Butyl 3-Aminobenzoate |
CAS: |
92146-82-2 |
Synonyms: |
3-aminobenzoic acid tert-butyl ester; tert-butyl 3-aminobenzoate |
IUPAC Name: | tert-butyl 3-aminobenzoate |
Description: | tert-Butyl 3-Aminobenzoate (CAS# 92146-82-2) is a useful research chemical. |
Molecular Weight: | 193.24 |
Molecular Formula: | C11H15NO2 |
Canonical SMILES: | CC(C)(C)OC(=O)C1=CC(=CC=C1)N |
InChI: | InChI=1S/C11H15NO2/c1-11(2,3)14-10(13)8-5-4-6-9(12)7-8/h4-7H,12H2,1-3H3 |
InChI Key: | YGIRNXMYJLWFLH-UHFFFAOYSA-N |
Boiling Point: | 309.2 °C at 760 mmHg |
Density: | 1.078 g/cm3 |
MDL: | MFCD00729048 |
LogP: | 2.80530 |
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-2021211784-A2 | Method of treating coronavirus infections | 20200415 |
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WO-2021098817-A1 | Dioxopiperazine derivative, preparation method therefore and pharmaceutical use thereof | 20191121 |
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WO-2021081110-A2 | Peptides and use thereof | 20191022 |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.110278721 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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