2- (Azepan-2-yl) cyclohexan-1-one hydrochloride

CAT: 0926-JFC42900-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-JFC42900-01Size:50 mg

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CAS Number

1384429-00-8

MDL Number

MFCD22369818

Smiles

C1CCC (NCC1) C2CCCCC2=O.Cl

Molecular Formula

C12H22ClNO

Molecular Weight

231.76 g/mol

Controlled

Chemical Information

2-(Azepan-2-yl)cyclohexan-1-one hydrochloride

CAS Number	1384429-00-8
PubChem CID	71755705
IUPAC Name	2-(azepan-2-yl)cyclohexan-1-one;hydrochloride
Molecular Formula	C12H22ClNO
Molecular Weight	231.76
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	202

SMILES

C1CCC(NCC1)C2CCCCC2=O.Cl

InChI

InChI=1S/C12H21NO.ClH/c14-12-8-4-3-6-10(12)11-7-2-1-5-9-13-11;/h10-11,13H,1-9H2;1H

InChIKey

LUOXFDQAEHLHDC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1384429-00-8

CID: 71755705

Formula: C12H22ClNO

MW: 231.76

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.76
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	231.1389920
Monoisotopic Mass	231.1389920
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	202
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	2
Compound Is Canonicalized	Yes

Catalog	Name
HWB73552-01	2- (Azepan-1-yl) cyclohexan-1-one
JFC43016-01	2- (Pyrrolidin-2-yl) cyclohexan-1-one hydrochloride
BFC22540-01	2- (Azepan-2-yl) -1-phenylethan-1-one hydrochloride
HAA58360-01	2- (Piperidin-1-yl) cyclohexan-1-one hydrochloride
YGC03406-01	2- (Morpholin-3-yl) cyclohexan-1-one hydrochloride
JFC70233-01	2- (Azepan-2-yl) -1- (furan-2-yl) ethan-1-one hydrochloride
JFC42879-01	2- (Azepan-2-yl) -1- (thiophen-2-yl) ethan-1-one hydrochloride
MZC90399-01	2- (Azepan-4-yl) acetamide hydrochloride
JEA85993-01	2- (Azepan-2-yl) ethan-1-ol hydrochloride
JFC43026-01	2- (4-Propylpiperidin-1-yl) cyclohexan-1-one hydrochloride

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