O-Isobutylhydroxylamine Hydrochloride - CAS 6084-58-8

Catalog:	BB030835
Product Name:	O-Isobutylhydroxylamine Hydrochloride
CAS:	6084-58-8
Synonyms:	O-(2-methylpropyl)hydroxylamine;hydrochloride; O-(2-methylpropyl)hydroxylamine;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	O-(2-methylpropyl)hydroxylamine;hydrochloride
Description:	O-Isobutylhydroxylamine Hydrochloride (CAS# 6084-58-8) is a reagent in the preparation of bis-hydroxy-benzophenone oxime ether derivatives as estrogen receptor (ER) agonist with complementary anti-cancer activities.
Molecular Weight:	125.60
Molecular Formula:	C4H12ClNO
Canonical SMILES:	CC(C)CON.Cl
InChI:	InChI=1S/C4H11NO.ClH/c1-4(2)3-6-5;/h4H,3,5H2,1-2H3;1H
InChI Key:	WOXGREIMSJFDPG-UHFFFAOYSA-N
Boiling Point:	167.7 °C at 760 mmHg
LogP:	2.03500

Publication Number	Title	Priority Date
WO-2020244968-A1	Fungicidal n-(pyrid-3-yl)carboxamides	20190606
EP-3630783-A1	Penicillin-binding protein inhibitors	20170526
US-2020102331-A1	Penicillin-binding protein inhibitors	20170526
WO-2018218154-A1	Penicillin-binding protein inhibitors	20170526
CN-110431143-A	Heteroaryl hepyramine analog derivative and its preparation method and application	20170324

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Related Functional Groups

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	28.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	125.0607417
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	125.0607417
Rotatable Bond Count:	2
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0