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4-Aminostyrene

CAT: 0926-FA62753-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-FA62753-01Size:1 g
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CAS Number
1520-21-4
Synonyms
4-Vinylaniline (stabilized with HQ)
MDL Number
MFCD00015329
Smiles
C=CC1=CC=C (C=C1) N
Molecular Formula
C8H9N
Molecular Weight
119.16 g/mol
Controlled
No

Chemical Information

4-Aminostyrene

4-Vinylaniline is a member of styrenes.

CAS Number1520-21-4
PubChem CID73700
IUPAC Name4-ethenylaniline
Molecular FormulaC8H9N
Molecular Weight119.16
XLogP1.8
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity90
SMILES
C=CC1=CC=C(C=C1)N
InChI
InChI=1S/C8H9N/c1-2-7-3-5-8(9)6-4-7/h2-6H,1,9H2
InChIKey
LBSXSAXOLABXMF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Aminostyrene
CAS: 1520-21-4
CID: 73700
Formula: C8H9N
MW: 119.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight119.16
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass119.073499291
Monoisotopic Mass119.073499291
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity90.7
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

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