N-Hydroxyisobutyramidine - CAS 35613-84-4

Catalog:	BB022700
Product Name:	N-Hydroxyisobutyramidine
CAS:	35613-84-4
Synonyms:	N'-hydroxy-2-methylpropanimidamide; N'-hydroxy-2-methylpropanimidamide

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	N'-hydroxy-2-methylpropanimidamide
Description:	Isobutanamidoxime was shown to exhibit antitumor activities and were active against P388 leukemia.
Molecular Weight:	102.14
Molecular Formula:	C4H10N2O
Canonical SMILES:	CC(C)C(=NO)N
InChI:	InChI=1S/C4H10N2O/c1-3(2)4(5)6-7/h3,7H,1-2H3,(H2,5,6)
InChI Key:	JHRDEHLFNLLCQS-UHFFFAOYSA-N
Boiling Point:	207.2 °C at 760 mmHg
Density:	1.09 g/cm³
MDL:	MFCD00464225
LogP:	1.08910

Publication Number	Title	Priority Date
WO-2015167309-A1	Cyclohexene derivative, preparation method therefor, and pharmaceutical composition for preventing or treating metabolic diseases, containing same as active ingredient	20140502
WO-2015162456-A1	Amino pyridine derivatives as phosphatidylinositol 3-kinase inhibitors	20140424
WO-2015162459-A1	Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors	20140424
WO-2015161014-A1	Heterocyclic cgrp receptor antagonists	20140417
US-2015087663-A1	Substituted aminopyrimidine compounds and methods of use	20130922

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
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[55877-31-1]
1-Benzofuran-3-carbonitrile
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline

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GHS Hazard Statement:	H302+H312+H332 (28.57%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, 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:	Warning

Complexity:	77.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	102.079312947
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	102.079312947
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	1
XLogP3:	0.4