REV 5901A

CAT: 0127-BUP02687-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP02687-02Size:10 mg

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

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CAS Number

92532-23-5

Synonyms

REV 5901 HCl, REV 5901A (101910-24-1 Free base)

Purity

=98%

Smiles

Cl.OC(C=1C=CC=C(OCC2=NC=3C=CC=CC3C=C2)C1)CCCCC

Chemical Information

Rev-5901A

CAS Number	92532-23-5
PubChem CID	180604
IUPAC Name	1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol;hydrochloride
Molecular Formula	C22H26ClNO2
Molecular Weight	371.9
Topological Polar Surface Area	42.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	26
Formal Charge	0
Complexity	375

SMILES

CCCCCC(C1=CC(=CC=C1)OCC2=NC3=CC=CC=C3C=C2)O.Cl

InChI

InChI=1S/C22H25NO2.ClH/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19;/h5-11,13-15,22,24H,2-4,12,16H2,1H3;1H

InChIKey

GDCJKFVOFPFJRS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 92532-23-5

CID: 180604

Formula: C22H26ClNO2

MW: 371.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	371.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	371.1652068
Monoisotopic Mass	371.1652068
Topological Polar Surface Area	42.4 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	375
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	2
Compound Is Canonicalized	Yes

Catalog	Name
M33762-01	REV 5901A