4- (3- (3-Bromophenyl) propyl) morpholine

CAT: 0024-sc-299227Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-299227Size:1 g

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CAS Number

1133116-11-6

Chemical Information

4-[3-(3-Bromophenyl)propyl]morpholine

CAS Number	1133116-11-6
PubChem CID	46739426
IUPAC Name	4-[3-(3-bromophenyl)propyl]morpholine
Molecular Formula	C13H18BrNO
Molecular Weight	284.19
XLogP	2.9
Topological Polar Surface Area	12.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	194

SMILES

C1COCCN1CCCC2=CC(=CC=C2)Br

InChI

InChI=1S/C13H18BrNO/c14-13-5-1-3-12(11-13)4-2-6-15-7-9-16-10-8-15/h1,3,5,11H,2,4,6-10H2

InChIKey

BRDFMYRGMMWEOR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1133116-11-6

CID: 46739426

Formula: C13H18BrNO

MW: 284.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	284.19
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	283.05718
Monoisotopic Mass	283.05718
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	194
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	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-261558	4-[ (3-Bromophenyl) sulphonyl]morpholine
sc-232230	4- (4-Bromophenyl) morpholine
sc-261556A	4-[ (2-Bromophenyl) sulphonyl]morpholine
sc-261556	4-[ (2-Bromophenyl) sulphonyl]morpholine
sc-259168	2- (3-Bromophenyl) -5-propyl-1,3,4-oxadiazole
sc-259168A	2- (3-Bromophenyl) -5-propyl-1,3,4-oxadiazole
sc-298790A	3- (4-Bromophenyl) -5-propyl-1,2,4-oxadiazole
sc-298790	3- (4-Bromophenyl) -5-propyl-1,2,4-oxadiazole
sc-338449	Propyl 2-amino-4- (4-bromophenyl) thiophene-3-carboxylate
sc-231339	3- (4-Morpholino) propyl isothiocyanate

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