3-(Aminomethyl)-3-oxetanol - CAS 1305208-47-2

Catalog:	BB007117
Product Name:	3-(Aminomethyl)-3-oxetanol
CAS:	1305208-47-2
Synonyms:	3-(aminomethyl)-3-oxetanol; 3-(aminomethyl)oxetan-3-ol

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Computed Properties

IUPAC Name:	3-(aminomethyl)oxetan-3-ol
Description:	3-(Aminomethyl)-3-oxetanol (CAS# 1305208-47-2) is a useful research chemical.
Molecular Weight:	103.12
Molecular Formula:	C4H9NO2
Canonical SMILES:	C1C(CO1)(CN)O
InChI:	InChI=1S/C4H9NO2/c5-1-4(6)2-7-3-4/h6H,1-3,5H2
InChI Key:	VJXPRLZGWQAQEX-UHFFFAOYSA-N
MDL:	MFCD20444451
LogP:	-0.59330

Publication Number	Title	Priority Date
WO-2021130259-A1	Dihydrocyclopenta-isoquinoline-sulfonamide derivatives compounds	20191223
WO-2021081375-A1	Inhibitors of raf kinases	20191024
US-11098031-B1	Inhibitors of RAF kinases	20191024
US-2021300904-A1	Inhibitors of raf kinases	20191024
US-2020392154-A1	Pyridine carbamates and their use as glun2b receptor modulators	20190614

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	70.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	103.063328530
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	103.063328530
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.9