3-Ethyl-4-methylisoxazol-5-amine - CAS 153458-34-5

Catalog:	BB010904
Product Name:	3-Ethyl-4-methylisoxazol-5-amine
CAS:	153458-34-5
Synonyms:	3-ethyl-4-methyl-1,2-oxazol-5-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	3-ethyl-4-methyl-1,2-oxazol-5-amine
Description:	3-Ethyl-4-methylisoxazol-5-amine (CAS# 153458-34-5) is a useful research chemical.
Molecular Weight:	126.16
Molecular Formula:	C6H10N2O
Canonical SMILES:	CCC1=NOC(=C1C)N
InChI:	InChI=1S/C6H10N2O/c1-3-5-4(2)6(7)9-8-5/h3,7H2,1-2H3
InChI Key:	RMAWJIRDEFGIPX-UHFFFAOYSA-N
Boiling Point:	256 °C at 760 mmHg
Density:	1.079 g/cm³
MDL:	MFCD06255250
LogP:	1.70880

Publication Number	Title	Priority Date
CA-2741839-A1	1-oxa-8-azaspiro [4,5] decane-8-carboxamide compounds as faah inhibitors	20081121
EP-2367830-A1	1-oxa-8-azaspiro [4, 5] decane- 8 -carboxamide compounds as faah inhibitors	20081121
US-2011230493-A1	1-OXA-8-Azaspiro [4,5] Decabe-8-Carboxamide Compounds as FAAH Inhibitors	20081121
WO-2010058318-A1	1-oxa-8-azaspiro [4, 5 ] decane- 8 -carboxamide compounds as faah inhibitors	20081121
CA-2738776-A1	7-azaspiro [3.5] nonane-7-carboxamide compounds as modulators of fatty acid amide hydrolase	20081030

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Complexity:	97.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.079312947
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	126.079312947
Rotatable Bond Count:	1
Topological Polar Surface Area:	52
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2