3- (2-Methoxyethyl) azepane

CAT: 0127-OR1021338Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

1566236-20-1

Purity

=95%

Smiles

COCCC1CCCCNC1

Chemical Information

3-(2-Methoxyethyl)azepane

CAS Number	1566236-20-1
PubChem CID	75456971
IUPAC Name	3-(2-methoxyethyl)azepane
Molecular Formula	C9H19NO
Molecular Weight	157.25
XLogP	1.1
Topological Polar Surface Area	21.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	95

SMILES

COCCC1CCCCNC1

InChI

InChI=1S/C9H19NO/c1-11-7-5-9-4-2-3-6-10-8-9/h9-10H,2-8H2,1H3

InChIKey

XMXJFWWVIWEVQJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1566236-20-1

CID: 75456971

Formula: C9H19NO

MW: 157.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	157.25
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	157.146664230
Monoisotopic Mass	157.146664230
Topological Polar Surface Area	21.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	95.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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PC901191	2- (3-Fluorophenyl) azepane
OR1071197-01	3- (2-Methoxyethyl) phenol
OR87270-01	3- (2-Methoxyethyl) azetidine
OR1094215-01	3- (2-methoxyethyl) benzaldehyde
OR1063168-01	Azepane-2-thione
OR97232-01	2-methoxyethyl-3-oxobutanoate
OR902479-01	2- (2-Methylpropyl) azepane
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