3-(Aminomethyl)oxetane - CAS 6246-05-5

Catalog:	BB031599
Product Name:	3-(Aminomethyl)oxetane
CAS:	6246-05-5
Synonyms:	oxetan-3-ylmethanamine

Technical Data

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Computed Properties

IUPAC Name:	oxetan-3-ylmethanamine
Description:	3-(Aminomethyl)oxetane (CAS# 6246-05-5) is a useful research chemical compound.
Molecular Weight:	87.12
Molecular Formula:	C4H9NO
Canonical SMILES:	C1C(CO1)CN
InChI:	InChI=1S/C4H9NO/c5-1-4-2-6-3-4/h4H,1-3,5H2
InChI Key:	KTHZBRAXOLUNBN-UHFFFAOYSA-N
Boiling Point:	130.91 °C at 760 mmHg
Purity:	97.0 %
Density:	1.004 g/cm³
Appearance:	Pale yellow liquid
LogP:	0.29180

Publication Number	Title	Priority Date
WO-2021212039-A1	Inhibitors of cysteine proteases and methods of use thereof	20200417
WO-2021139775-A1	Pyridone compound and application	20200110
CN-113121573-A	Purine derivatives and their use in medicine	20191231
WO-2021102314-A1	Trpv4 receptor ligands	20191121
KR-20210015730-A	Oxo-pyridine fused ring derivatives and pharmaceutical composition containing the same	20190802

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Related Functional Groups

Oxetane/Thietane

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3-(2-Iodoethyl)oxetane
[1401967-56-3]
3-(3-Pyridyl)-3-oxetanol
[6246-05-5]
3-(Aminomethyl)oxetane
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3-(Boc-amino)-3-(bromomethyl)oxetane

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GHS Hazard Statement:	H302 (97.5%): 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:	42.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	87.068413911
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	87.068413911
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8