YM-46303

CAT: 0926-WGA72281-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-WGA72281-01Size:5 mg

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

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CAS Number

171722-81-9

Smiles

CC1=CNC2=C1C3C (C2) C3 (C) C

Molecular Formula

C20H23ClN2O2

Molecular Weight

358.9 g/mol

Controlled

Chemical Information

1-azabicyclo[2.2.2]octan-4-yl N-(2-phenylphenyl)carbamate;hydrochloride

CAS Number	171722-81-9
PubChem CID	9798899
IUPAC Name	1-azabicyclo[2.2.2]octan-4-yl N-(2-phenylphenyl)carbamate;hydrochloride
Molecular Formula	C20H23ClN2O2
Molecular Weight	358.9
Topological Polar Surface Area	41.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	425

SMILES

C1CN2CCC1(CC2)OC(=O)NC3=CC=CC=C3C4=CC=CC=C4.Cl

InChI

InChI=1S/C20H22N2O2.ClH/c23-19(24-20-10-13-22(14-11-20)15-12-20)21-18-9-5-4-8-17(18)16-6-2-1-3-7-16;/h1-9H,10-15H2,(H,21,23);1H

InChIKey

ZUBLNWRGQSNWGQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 171722-81-9

CID: 9798899

Formula: C20H23ClN2O2

MW: 358.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	358.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	358.1448057
Monoisotopic Mass	358.1448057
Topological Polar Surface Area	41.6 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	425
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