3- (Hydroxymethyl) azetidine

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CAS Number

95849-02-8

Synonyms

(Azetidin-3-yl) methanol, 3- (Hydroxymethyl) azetane

MDL Number

MFCD08703352

Purity

=95%

Smiles

OCC1CNC1

Storage Conditions

Store at 2-8°C

Chemical Information

(Azetidin-3-yl)methanol

CAS Number	95849-02-8
PubChem CID	13400658
IUPAC Name	azetidin-3-ylmethanol
Molecular Formula	C4H9NO
Molecular Weight	87.12
XLogP	-0.9
Topological Polar Surface Area	32.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	42

SMILES

C1C(CN1)CO

InChI

InChI=1S/C4H9NO/c6-3-4-1-5-2-4/h4-6H,1-3H2

InChIKey

GNVWVYIAQBJHGV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 95849-02-8

CID: 13400658

Formula: C4H9NO

MW: 87.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	87.12
XLogP3	-0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	87.068413911
Monoisotopic Mass	87.068413911
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	42.8
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
OR470820	3,3-Di (hydroxymethyl) azetidine
OR83957-01	Tert-Butyl 3,3-bis (hydroxymethyl) azetidine-1-carboxylate
PC1005341-01	Tert-Butyl 3,3-difluoro-2- (hydroxymethyl) azetidine-1-carboxylate
OR1054302	Benzyl (S) -2- (hydroxymethyl) azetidine-1-carboxylate
OR317166	1-Methyl-3- (hydroxyethyl) azetidine
OR78946-01	3- (Octyloxy) azetidine
OR322923	3- (Cyclopropylmethylsulfonyl) azetidine
OR308017	Azetidine-3-carboxamide
OR92773-01	3-Isopropoxy-azetidine
OR1067509-01	3- (Cyclopropylsulfonyl) azetidine

Catalog	Name
FB146871-01	N-Benzyl-3- (hydroxymethyl) azetidine
sc-320093A	1- (Diphenylmethyl) -3- (hydroxymethyl) azetidine
HY-W058000	Benzyl 3- (hydroxymethyl) azetidine-1-carboxylate
VXC68449-01	3- (Hydroxymethyl) azetidine-3-carbonitrile hydrochloride
421821-01	(2R) -1-Boc-2- (hydroxymethyl) azetidine
ZGA34682-01	Tert-Butyl 2- (hydroxymethyl) azetidine-1-carboxylate
AVD26740-01	Methyl 3- (hydroxymethyl) azetidine-3-carboxylate hydrochloride
abx180885-01	tert-butyl 3-(Hydroxymethyl)azetidine-1-carboxylate
LRB26252-01	Cis-1-Boc-2,4-bis (hydroxymethyl) azetidine
RQB23308-01	Tert-butyl 3,3-bis (hydroxymethyl) azetidine-1-carboxylate