3-Hydroxy-3- (hydroxymethyl) azetidine

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CAS Number

934672-00-1

Synonyms

3- (Hydroxymethyl) azetidin-3-ol, 3-Hydroxy-3- (hydroxymethyl) azetane

MDL Number

MFCD26096975

Purity

=95%

Smiles

OCC1(O)CNC1

Chemical Information

3-(Hydroxymethyl)azetidin-3-ol

CAS Number	934672-00-1
PubChem CID	55288479
IUPAC Name	3-(hydroxymethyl)azetidin-3-ol
Molecular Formula	C4H9NO2
Molecular Weight	103.12
XLogP	-1.9
Topological Polar Surface Area	52.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	7
Formal Charge	0
Complexity	70

SMILES

C1C(CN1)(CO)O

InChI

InChI=1S/C4H9NO2/c6-3-4(7)1-5-2-4/h5-7H,1-3H2

InChIKey

SVGVQQICUXXQHI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 934672-00-1

CID: 55288479

Formula: C4H9NO2

MW: 103.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	103.12
XLogP3	-1.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	103.063328530
Monoisotopic Mass	103.063328530
Topological Polar Surface Area	52.5 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	70.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
OR308022	3- (Hydroxymethyl) azetidine
OR470820	3,3-Di (hydroxymethyl) azetidine
PC420022-01	3-Hydroxy-3- (trifluoromethyl) azetidine hydrochloride
OR308030-01	Tert-Butyl 3- (hydroxymethyl) azetidine-1-carboxylate
OR317174-01	1-Boc-3-hydroxy-3- (nitromethyl) azetidine
OR317175-01	1-Boc-3-hydroxy-3- (aminomethyl) azetidine
OR1055397-01	Tert-Butyl 3-bromo-3- (hydroxymethyl) azetidine-1-carboxylate
OR1005065	Tert-Butyl 3-ethyl-3- (hydroxymethyl) azetidine-1-carboxylate
OR1001818-01	Tert-Butyl 3-amino-3- (hydroxymethyl) azetidine-1-carboxylate
OR83957-01	Tert-Butyl 3,3-bis (hydroxymethyl) azetidine-1-carboxylate

Catalog	Name
DHC33070-01	Tert-Butyl 3-hydroxy-3- (hydroxymethyl) azetidine-1-carboxylate
VXC68449-01	3- (Hydroxymethyl) azetidine-3-carbonitrile hydrochloride
FB146871-01	N-Benzyl-3- (hydroxymethyl) azetidine
sc-320093A	1- (Diphenylmethyl) -3- (hydroxymethyl) azetidine
AVD26740-01	Methyl 3- (hydroxymethyl) azetidine-3-carboxylate hydrochloride
HY-W058000	Benzyl 3- (hydroxymethyl) azetidine-1-carboxylate
abx180885-01	tert-butyl 3-(Hydroxymethyl)azetidine-1-carboxylate
JWC21282-01	Tert-butyl 3- (aminomethyl) -3- (hydroxymethyl) azetidine-1-carboxylate
JH912829	Tert-butyl 3- (difluoromethyl) -3- (hydroxymethyl) azetidine-1-carboxylate
RQB23308-01	Tert-butyl 3,3-bis (hydroxymethyl) azetidine-1-carboxylate