3-(1,1-Dimethylethyl)benzenamine
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3-(1,1-Dimethylethyl)benzenamine
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CAS No:
5369-19-7
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Formula:
C10H15N
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Chemical Name:
3-(1,1-Dimethylethyl)benzenamine
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Synonyms:
Benzenamine,3-(1,1-dimethylethyl)-;Aniline,m-tert-butyl-;3-(1,1-Dimethylethyl)benzenamine;3-tert-Butylaniline;m-tert-Butylaniline;3-tert-Butylphenylamine;3-(1,1-Dimethylethyl)aniline
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CAS No:
Safety Information
20/21/22-36/37/38-22
26-36/37/39
Xi,Xn
Irritant
P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H301
|Warning|H302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 10 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-(1,1-Dimethylethyl)benzenamine Use and Manufacturing
General procedure: To amixture of halogenated nitroarene (1 mmol), Pd/C(10percent), and MeOH (5 mL) was added NH2NH2·H2O (10 mmol), andthe resulting solution was heated at 120 °C by BiotageInitiator Classic microwave synthesizer for 15 min. Themixture was filtered and condensed in vacuo. The crudematerial was purified by flash column chromatographyusing hexanes and EtOAc.General procedure: To amixture of halogenated nitroarene (1 mmol), Pd/C(10percent), and MeOH (5 mL) was added NH2NH2·H2O (10 mmol), andthe resulting solution was heated at 120 °C by BiotageInitiator Classic microwave synthesizer for 15 min. Themixture was filtered and condensed in vacuo. The crudematerial was purified by flash column chromatographyusing hexanes and EtOAc.
Computed Properties
Molecular Weight:149.23
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:149.120449483
Monoisotopic Mass:149.120449483
Topological Polar Surface Area:26
Heavy Atom Count:11
Complexity:123
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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