5-tert-Butyl-1,3,4-oxadiazol-2-amine - CAS 69741-92-0

Catalog:	BB033955
Product Name:	5-tert-Butyl-1,3,4-oxadiazol-2-amine
CAS:	69741-92-0
Synonyms:	5-tert-butyl-1,3,4-oxadiazol-2-amine

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Computed Properties

IUPAC Name:	5-tert-butyl-1,3,4-oxadiazol-2-amine
Description:	5-tert-Butyl-1,3,4-oxadiazol-2-amine (CAS# 69741-92-0) is a useful research chemical.
Molecular Weight:	141.17
Molecular Formula:	C6H11N3O
Canonical SMILES:	CC(C)(C)C1=NN=C(O1)N
InChI:	InChI=1S/C6H11N3O/c1-6(2,3)4-8-9-5(7)10-4/h1-3H3,(H2,7,9)
InChI Key:	WONCYNYJYMAVNA-UHFFFAOYSA-N
Boiling Point:	242.202 °C at 760 mmHg
Purity:	95 %
Density:	1.106 g/cm³
MDL:	MFCD09261284
LogP:	1.53050

Publication Number	Title	Priority Date
US-2020368223-A1	Methods for inhibiting phosphate transport	20190521
TW-202102477-A	Quinoline Carboxamide Derivatives and Manufacturing Methods of Manufacturing Intermediates	20190322
KR-101893310-B1	Heterocyclic compound and organic electronic device comprising the same	20161031
KR-20180048409-A	Heterocyclic compound and organic electronic device comprising the same	20161031
AU-2017342156-A1	1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors	20161013

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Related Functional Groups

Oxadiazole/Thiadiazole

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	121
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.090211983
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	141.090211983
Rotatable Bond Count:	1
Topological Polar Surface Area:	64.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5