Products for Research Use Only
RegisterLogin

4-Butylbenzonitrile

CAT: 0127-OR80457-01Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR80457-01Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
20651-73-4
MDL Number
MFCD00052345
Purity
98%
Smiles
CCCCC1=CC=C(C=C1)C#N

Chemical Information

4-Butylbenzonitrile
CAS Number20651-73-4
PubChem CID140730
IUPAC Name4-butylbenzonitrile
Molecular FormulaC11H13N
Molecular Weight159.23
XLogP3.4
Topological Polar Surface Area23.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity157
SMILES
CCCCC1=CC=C(C=C1)C#N
InChI
InChI=1S/C11H13N/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-8H,2-4H2,1H3
InChIKey
KGZNJCXNPLUEQS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Butylbenzonitrile
CAS: 20651-73-4
CID: 140730
Formula: C11H13N
MW: 159.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight159.23
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass159.104799419
Monoisotopic Mass159.104799419
Topological Polar Surface Area23.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity157
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
OR30168-014-tert-Butylbenzonitrile
OR941179-014-Butyrylbenzonitrile
PC64124,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
PC52154,4,4,4',4',4'-Hexafluorovaline hydrochloride
OR1011273-014,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011238-014,4,4,4-Silanetetrayltetrabenzaldehyde
OR1011275-014,4',4'',4'''-Methanetetrayltetraphenol
PC4810-014,4,4,4',4',4'-Hexafluoro-DL-valine
PC450233-014,4,4,4',4',4'-Hexafluorovaline, ethyl ester
OR1001790-014,4',4'',4'''-Silanetetrayltetrabenzoic acid

Alternative Products

CatalogName
sc-2265594-Butylbenzonitrile
JH2962864-tert-Butylbenzonitrile
233548-014-tert-Butylbenzonitrile 98+%
BRB68422-012-Amino-5-butylbenzonitrile
HY-W099255-01Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
25725310-014,4'-Sulfonyldiphenol (4,4'-Dihydroxydiphenylsulfone)
JXB85075-014,4,4-Trifluorobutanethioamide
433631-014,4',4''-Methanetriyltrianiline
sc-2621904,4,4-Trifluorobutyraldehyde
sc-4761684,4',4''-Trihydroxytriphenylmethane

Popular Products