Products for Research Use Only
RegisterLogin

4-Phenylbutanenitrile

CAT: 0127-OR1023686Size: 25 mLDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR1023686Size:25 mL
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2046-18-6
Synonyms
4-phenylbutanenitrile
Purity
98%
Smiles
C1=CC=C(C=C1)CCCC#N

Chemical Information

Benzenebutanenitrile
CAS Number2046-18-6
PubChem CID74897
IUPAC Name4-phenylbutanenitrile
Molecular FormulaC10H11N
Molecular Weight145.20
XLogP2.2
Topological Polar Surface Area23.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity136
SMILES
C1=CC=C(C=C1)CCCC#N
InChI
InChI=1S/C10H11N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8H2
InChIKey
ICMVGKQFVMTRLB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenebutanenitrile
CAS: 2046-18-6
CID: 74897
Formula: C10H11N
MW: 145.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight145.20
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass145.089149355
Monoisotopic Mass145.089149355
Topological Polar Surface Area23.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity136
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
OR2353-012-Phenylbutanenitrile
OR93006-012-Ethyl-2-phenylbutanenitrile
OR282983-Methyl-2-phenylbutanenitrile
PC52154,4,4,4',4',4'-Hexafluorovaline hydrochloride
PC64124,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
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

Alternative Products

CatalogName
sc-2329374-Oxo-4-phenylbutanenitrile
sc-3166894-Methoxy-4-phenylbutanenitrile
XFA28834-012-Bromo-4-phenylbutanenitrile
YGC02942-014-Amino-4-phenylbutanenitrile hydrochloride
BCA76578-012-Methyl-4-oxo-4-phenylbutanenitrile
GTR19252641-013-Methyl-4-oxo-4-phenylbutanenitrile
RG-P080530-012-Phenylbutanenitrile
sc-356876A4-bromo-3-oxo-2-phenylbutanenitrile
THC97926-014- (3-Methoxyphenyl) -4-oxo-3-phenylbutanenitrile
sc-3411362-amino-2-methyl-4-phenylbutanenitrile hydrochloride

Popular Products