N-Boc-4-bromo-2-methylaniline - CAS 306937-14-4
Catalog: |
BB020683 |
Product Name: |
N-Boc-4-bromo-2-methylaniline |
CAS: |
306937-14-4 |
Synonyms: |
N-(4-bromo-2-methylphenyl)carbamic acid tert-butyl ester; tert-butyl N-(4-bromo-2-methylphenyl)carbamate |
IUPAC Name: | tert-butyl N-(4-bromo-2-methylphenyl)carbamate |
Description: | N-Boc-4-bromo-2-methylaniline (CAS# 306937-14-4) is a useful research chemical. |
Molecular Weight: | 286.16 |
Molecular Formula: | C12H16BrNO2 |
Canonical SMILES: | CC1=C(C=CC(=C1)Br)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C12H16BrNO2/c1-8-7-9(13)5-6-10(8)14-11(15)16-12(2,3)4/h5-7H,1-4H3,(H,14,15) |
InChI Key: | ZMUXMKPOXRAYSP-UHFFFAOYSA-N |
Boiling Point: | 294.7 ℃ at 760 mmHg |
Density: | 1.356 g/cm3 |
LogP: | 4.17750 |
Publication Number | Title | Priority Date |
WO-2020018848-A1 | Methods of culturing and/or expanding stem cells and/or lineage committed progenitor cells using amido compounds | 20180719 |
WO-2019018562-A1 | AMIDO COMPOUND AS MODULATORS OF AHR | 20170719 |
US-2021115016-A1 | AMIDO COMPOUNDS AS AhR MODULATORS | 20170719 |
WO-2018103239-A1 | Preparation method for velpatasvir intermediate and analogue thereof | 20161205 |
CN-108147972-B | Preparation method of vipatavir intermediate and analogue thereof | 20161205 |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.03644 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.03644 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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