Mbx2329

CAT: 0127-BUP06720-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP06720-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1438272-42-4

Purity

=98%

Smiles

Cl.CCc1ccccc1OCCN1CCCCCC1

Chemical Information

1-[2-(2-Ethylphenoxy)ethyl]azepane hydrochloride

CAS Number	1438272-42-4
PubChem CID	71526742
IUPAC Name	1-[2-(2-ethylphenoxy)ethyl]azepane;hydrochloride
Molecular Formula	C16H26ClNO
Molecular Weight	283.83
Topological Polar Surface Area	12.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	211

SMILES

CCC1=CC=CC=C1OCCN2CCCCCC2.Cl

InChI

InChI=1S/C16H25NO.ClH/c1-2-15-9-5-6-10-16(15)18-14-13-17-11-7-3-4-8-12-17;/h5-6,9-10H,2-4,7-8,11-14H2,1H3;1H

InChIKey

JMIAUPZSIMYFEG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1438272-42-4

CID: 71526742

Formula: C16H26ClNO

MW: 283.83

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	283.83
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	283.1702921
Monoisotopic Mass	283.1702921
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	211
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	2
Compound Is Canonicalized	Yes