2-Amino-5-(tert-butyl)benzoxazole - CAS 947505-01-3

Catalog:	BB041486
Product Name:	2-Amino-5-(tert-butyl)benzoxazole
CAS:	947505-01-3
Synonyms:	5-tert-butyl-1,3-benzoxazol-2-amine; 5-tert-butyl-1,3-benzoxazol-2-amine

Technical Data

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Computed Properties

IUPAC Name:	5-tert-butyl-1,3-benzoxazol-2-amine
Description:	2-Amino-5-(tert-butyl)benzoxazole (CAS# 947505-01-3) is a useful research chemical.
Molecular Weight:	190.24
Molecular Formula:	C11H14N2O
Canonical SMILES:	CC(C)(C)C1=CC2=C(C=C1)OC(=N2)N
InChI:	InChI=1S/C11H14N2O/c1-11(2,3)7-4-5-9-8(6-7)13-10(12)14-9/h4-6H,1-3H3,(H2,12,13)
InChI Key:	DQUOOHJLHOWIHQ-UHFFFAOYSA-N

Publication Number	Title	Priority Date
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US-10011600-B2	Methods and compositions for inhibition of Ras	20140925
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Related Functional Groups

Benzoxazole/Benzothiazole

[16263-54-0]
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[1225716-41-5]
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[1326714-98-0]
4-Bromobenzo[d]isothiazole
[70785-26-1]
N-(4-methylphenyl)benzothiazol-2-amine
[1855907-41-3]
6-(2,2,3,3-Tetrafluoropropoxy)-1,3-benzothiazol-2-amine
[50710-33-3]
5,7-Dichloro-2-(chloromethyl)benzoxazole

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	212
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.110613074
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.110613074
Rotatable Bond Count:	1
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2