N'-Hydroxycyclopropanecarboxamidine - CAS 51285-13-3

Catalog:	BB027394
Product Name:	N'-Hydroxycyclopropanecarboxamidine
CAS:	51285-13-3
Synonyms:	N'-hydroxycyclopropanecarboximidamide; N'-hydroxycyclopropanecarboximidamide

Technical Data

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Computed Properties

IUPAC Name:	N'-hydroxycyclopropanecarboximidamide
Description:	N'-Hydroxycyclopropanecarboxamidine (CAS# 51285-13-3) is a useful research chemical.
Molecular Weight:	100.12
Molecular Formula:	C4H8N2O
Canonical SMILES:	C1CC1C(=NO)N
InChI:	InChI=1S/C4H8N2O/c5-4(6-7)3-1-2-3/h3,7H,1-2H2,(H2,5,6)
InChI Key:	OMCUPXRCMTUDHI-UHFFFAOYSA-N
Boiling Point:	253.989 ℃ at 760 mmHg
Density:	1.501 g/cm³
Appearance:	Solid
MDL:	MFCD07772876
LogP:	0.84310

Publication Number	Title	Priority Date
WO-2012093809-A2	New bicyclic compound for modulating g protein-coupled receptors	20110103
US-2010305111-A1	Substituted piperidines	20090527
US-2012016119-A1	NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND	20090122
US-2010105595-A1	Composition comprising chelating agents containing amidoxime compounds	20081029
US-2009311217-A1	3-substituted-1h-indole compounds, their use as mtor kinase and pi3 kinase inhibitors, and their syntheses	20080528

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GHS Hazard Statement:	H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	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, and P501
Signal Word:	Danger

Complexity:	95.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	100.063662883
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	100.063662883
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1