2-tert-Butylaniline - CAS 6310-21-0
Catalog: |
BB031998 |
Product Name: |
2-tert-Butylaniline |
CAS: |
6310-21-0 |
Synonyms: |
2-tert-butylaniline |
IUPAC Name: | 2-tert-butylaniline |
Description: | 2-tert-Butylaniline (CAS# 6310-21-0) is used as an intermediate in various reactions including towards substituted indole-2-carboxylic acids as inhibitors of bacterial metallo-beta-lactamases, which ultimately results in the potential for the use in the treatment of bacterial infection. |
Molecular Weight: | 149.23 |
Molecular Formula: | C10H15N |
Canonical SMILES: | CC(C)(C)C1=CC=CC=C1N |
InChI: | InChI=1S/C10H15N/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7H,11H2,1-3H3 |
InChI Key: | AEIOZWYBDBVCGW-UHFFFAOYSA-N |
Boiling Point: | 234.6 °C at 760 mmHg |
Density: | 0.957 g/cm3 |
Appearance: | Brown liquid |
MDL: | MFCD00130023 |
LogP: | 3.14750 |
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 |
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PMID | Publication Date | Title | Journal |
21754594 | 20110601 | Bis(μ-2-tert-butyl-phenyl-imido-1:2κN:N)chlorido-2κCl-(diethyl ether-1κO)(2η-penta-methyl-cyclo-penta-dien-yl)lithiumtantalum(V) | Acta crystallographica. Section E, Structure reports online |
16388629 | 20060106 | Regioselective copper-catalyzed amination of chlorobenzoic acids: synthesis and solid-state structures of N-aryl anthranilic acid derivatives | The Journal of organic chemistry |
14656123 | 20031212 | Synthesis of optically active atropisomeric anilide derivatives through diastereoselective N-allylation with a chiral Pd-pi-allyl catalyst | The Journal of organic chemistry |
12418875 | 20021113 | C-C bond formation via C-H bond activation: catalytic arylation and alkenylation of alkane segments | Journal of the American Chemical Society |
Complexity: | 123 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.120449483 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.120449483 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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