3- (Oxolan-3-yl) azepane

CAT: 0926-QMC50439-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-QMC50439-01Size:50 mg

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CAS Number

1565504-39-3

MDL Number

MFCD26932295

Smiles

C1CCNCC (C1) C2CCOC2

Molecular Formula

C10H19NO

Molecular Weight

169.26 g/mol

Controlled

Chemical Information

3-(Oxolan-3-yl)azepane

CAS Number	1565504-39-3
PubChem CID	104680633
IUPAC Name	3-(oxolan-3-yl)azepane
Molecular Formula	C10H19NO
Molecular Weight	169.26
XLogP	1.1
Topological Polar Surface Area	21.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	138

SMILES

C1CCNCC(C1)C2CCOC2

InChI

InChI=1S/C10H19NO/c1-2-5-11-7-9(3-1)10-4-6-12-8-10/h9-11H,1-8H2

InChIKey

DMDIUHSDJYBJFE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1565504-39-3

CID: 104680633

Formula: C10H19NO

MW: 169.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	169.26
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	169.146664230
Monoisotopic Mass	169.146664230
Topological Polar Surface Area	21.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	138
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
QMC32724-01	3- (Oxolan-3-yl) azepan-2-one
GGA38034-01	Oxolan-3-yl methanesulfonate
JZC20067-01	3- (Oxolan-3-yl) morpholine
DEC85371-01	3- (Oxolan-3-yl) aniline
WUB05747-01	3- (Oxolan-3-yl) pyrrolidine
UFA24339-01	3- (Pyrrolidin-1-yl) azepane
XLC08097-01	3- (Oxan-4-yl) azepane
TDC59603-01	[3- (Benzylamino) oxolan-3-yl]methanol
YGC02917-01	3- (Oxolan-3-yl) piperidine hydrochloride
PDC57861-01	[3- (Methylamino) oxolan-3-yl]methanol

Catalog	Name
sc-281926	1- (6-chloropyridazin-3-yl) azepane
OR906618	2-Pyridin-4-yl-azepane
OR904611-01	2-Furan-2-yl-azepane
OR927383-01	2- (Pyridin-2-yl) azepane
OR303629	1- (6-Chloro-3-nitropyridin-2-yl) azepane
408245-01	1- (5-Bromopyrimidin-2-yl) azepane
sc-303806	1-Piperidin-4-yl-azepane hydrochloride
sc-303805	1-Piperidin-4-yl-azepane dihydrochloride
AL FD 0015-01	1- (1H-inden-2-yl) azepane
TRC-A809745-1G	Azepane-3-carboxylic Acid