S1RA hydrochloride

CAT: 0127-BUP09255-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP09255-01Size:5 mg

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

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CAS Number

1265917-14-3

Synonyms

E-52862 hydrochloride

Purity

=98%

Smiles

Cl.Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1

Chemical Information

S1RA hydrochloride

CAS Number	1265917-14-3
PubChem CID	50914801
IUPAC Name	4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine;hydrochloride
Molecular Formula	C20H24ClN3O2
Molecular Weight	373.9
Topological Polar Surface Area	39.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	416

SMILES

CC1=CC(=NN1C2=CC3=CC=CC=C3C=C2)OCCN4CCOCC4.Cl

InChI

InChI=1S/C20H23N3O2.ClH/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19;/h2-7,14-15H,8-13H2,1H3;1H

InChIKey

SHRYQZBTQDMGLZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1265917-14-3

CID: 50914801

Formula: C20H24ClN3O2

MW: 373.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	373.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	373.1557047
Monoisotopic Mass	373.1557047
Topological Polar Surface Area	39.5 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	416
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

Catalog	Name
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