1,4-Diphenylbutane

CAT: 0127-OR1036782Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1036782Size:100 mg

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CAS Number

1083-56-3

MDL Number

MFCD00043575

Purity

98%

Smiles

C(CCC1=CC=CC=C1)CC1=CC=CC=C1

Chemical Information

1,4-Diphenylbutane

CAS Number	1083-56-3
PubChem CID	66182
IUPAC Name	4-phenylbutylbenzene
Molecular Formula	C16H18
Molecular Weight	210.31
XLogP	4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	5
Heavy Atom Count	16
Formal Charge	0
Complexity	141

SMILES

C1=CC=C(C=C1)CCCCC2=CC=CC=C2

InChI

InChI=1S/C16H18/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2

InChIKey

GLJFYGFBITUZOE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1083-56-3

CID: 66182

Formula: C16H18

MW: 210.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.31
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	5
Exact Mass	210.140850574
Monoisotopic Mass	210.140850574
Topological Polar Surface Area	0 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	141
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
OR304013	(R) - (+) -2-Amino-3-methyl-1,1-diphenylbutane
OR304014	(S) - (-) -2-Amino-3-methyl-1,1-diphenylbutane
OR304035	(S) -2- (+) -Amino-3,3-dimethyl-1,1-diphenylbutane
PC301005	(S) - (-) -2-Amino-1-fluoro-3-methyl-1,1-diphenylbutane
PC301004	(R) - (+) -2-Amino-1-fluoro-3-methyl-1,1-diphenylbutane
OR1009995-01	2,3-Dimethyl-2,3-Diphenylbutane
OR1026921-01	2,3-Diphenylbutane-2,3-Diol
OR1079618-01	1,4-Diphenylbutan-1-One
OR1065914-01	4,4-Diphenylbutan-1-amine hydrochloride
OR1060284-01	4,4'- (1,4-Diphenylbuta-1,3-diene-1,4-diyl) dibenzoic acid