(S) -oxetan-2-ylmethanamine

CAT: 1266-JH916144Size: 1 EachDry Ice: NoHazardous: No

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CAT#:1266-JH916144Size:1 Each

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CAS Number

2091328-57-1

Stability

Under inert gas (nitrogen or Argon) at 2–8 °C

Molecular Formula

C4H9NO

Molecular Weight

87.12

Density

1.004±0.06 g/cm3 (Predicted)

Chemical Information

1-[(2S)-oxetan-2-yl]methanamine

CAS Number	2091328-57-1
PubChem CID	86307169
IUPAC Name	[(2S)-oxetan-2-yl]methanamine
Molecular Formula	C4H9NO
Molecular Weight	87.12
XLogP	-0.7
Topological Polar Surface Area	35.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	46

SMILES

C1CO[C@@H]1CN

InChI

InChI=1S/C4H9NO/c5-3-4-1-2-6-4/h4H,1-3,5H2/t4-/m0/s1

InChIKey

QDEFNAHLCTUWAH-BYPYZUCNSA-N

Chemical Structure

2D Structure

CAS: 2091328-57-1

CID: 86307169

Formula: C4H9NO

MW: 87.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	87.12
XLogP3	-0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	87.068413911
Monoisotopic Mass	87.068413911
Topological Polar Surface Area	35.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	46.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
JH217188	Piperidin-2-ylmethanamine
JH918414	2- (oxetan-2-yl) acetaldehyde
JH175839	1,2-oxazol-4-ylmethanamine
JH917295	2- (OXETAN-3-YL) ACETALDEHYDE
JH913254	3- (2-Aminoethyl) oxetan-3-ol
JH917600	(S) -Oxetane-2-carbaldehyde
JH300892	1H-pyrrolo[3,2-c]pyridin-2-ylmethanamine
JH917611	Imidazo[1,2-a]pyridin-7-ylmethanamine hydrochloride
JH231702	1,3-benzodioxol-5-ylmethanamine
JH917718	(2- (difluoromethoxy) -4- (oxetan-3-yl) phenyl) methanol

Catalog	Name
QID72835-01	(R) -Oxetan-2-ylmethanamine
OR74737	(S) -Oxetan-2-ylmethanamine
OR1034825-01	(S) -Oxetan-2-ylmethanamine 4-methylbenzenesulfonate
IMB68873-01	Thian-2-ylmethanamine
sc-355950	Pyrazin-2-ylmethanamine
AL BW 2222-01	Quinolin-2-ylmethanamine
SBA83932-01	Azepan-2-ylmethanamine
DAA99059	Chroman-2-ylmethanamine
RM-F211828-01	Furan-2-Ylmethanamine
RG-E140294-01	Oxiran-2-ylmethanamine