N-Methyl-3-oxetanamine - CAS 952182-03-5

Catalog:	BB041646
Product Name:	N-Methyl-3-oxetanamine
CAS:	952182-03-5
Synonyms:	N-methyloxetan-3-amine

Technical Data

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Computed Properties

IUPAC Name:	N-methyloxetan-3-amine
Description:	N-Methyl-3-oxetanamine (CAS# 952182-03-5) is an oxetane derivative involved with CO2 in catalytic coupling to form six-membered cyclic carbonates via Al catalysis.
Molecular Weight:	87.12
Molecular Formula:	C4H9NO
Canonical SMILES:	CNC1COC1
InChI:	InChI=1S/C4H9NO/c1-5-4-2-6-3-4/h4-5H,2-3H2,1H3
InChI Key:	JUIXJPRSYHSLHK-UHFFFAOYSA-N
Boiling Point:	112.256 °C at 760 mmHg
Purity:	97.0 %
Density:	0.965 g/cm³
MDL:	MFCD08544349
LogP:	-0.00450

Publication Number	Title	Priority Date
WO-2021105117-A1	Substituted aminoquinolones as dgkalpha inhibitors for immune activation	20191128
WO-2021057853-A1	Aza-quinoline compounds and uses thereof	20190926
US-2021078996-A1	Hpk1 antagonists and uses thereof	20190913
US-2021078997-A1	SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913
US-2021078998-A1	SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913

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Related Functional Groups

Oxetane/Thietane

[1394319-79-9]
Ethyl 2-(1,1-dioxidothietan-3-ylidene)acetate
[1402158-49-9]
3-(4-Bromophenyl)oxetane
[1393585-20-0]
3-(4-Bromophenyl)oxetane-3-carboxylic acid
[2091328-57-1]
(S)-Oxetane-2-methanamine
[1850206-88-0]
N-(1-fluoropropan-2-yl)thietan-3-amine
[952182-03-5]
N-Methyl-3-oxetanamine

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]; H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (97.44%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (97.44%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	42.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	87.06841391100001
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	87.06841391100001
Rotatable Bond Count:	1
Topological Polar Surface Area:	21.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5