4-Amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide - CAS 13490-32-9

Name: 4-Amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB008030
Product Name:	4-Amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide
CAS:	13490-32-9
Synonyms:	4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide; 4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide

Technical Data

IUPAC Name:	4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide
Description:	4-Amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide (CAS# 13490-32-9) is used to prepare inhibitors of indoleamine 2,3-dioxygenase. It is also used in the synthesis of 3-azolylpropanohydroxamic acids as procollagen c-proteinase inhibitors.
Molecular Weight:	143.10
Molecular Formula:	C3H5N5O2
Canonical SMILES:	C1(=NON=C1N)C(=NO)N
InChI:	InChI=1S/C3H5N5O2/c4-2(6-9)1-3(5)8-10-7-1/h9H,(H2,4,6)(H2,5,8)
InChI Key:	DNFUTAVRGAVUKE-UHFFFAOYSA-N
Boiling Point:	453.3 °C at 760 mmHg
Density:	2.24 g/cm³
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD00186407
LogP:	0.02780

GHS Hazard Statement:	H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-2010015178-A1	1,2,5-oxadiazoles as inhibitors of indoleamine 2,3-dioxygenase	20080708
US-2006258719-A1	Modulators of indoleamine 2,3-dioxygenase and methods of using the same	20050510
US-2011311479-A1	Modulators of indoleamine 2,3-dioxygenase and methods of using the same	20050510

Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	143.04432442
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	143.04432442
Rotatable Bond Count:	1
Topological Polar Surface Area:	124 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6