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4-ethynylaniline

CAT: 1596-AR-E01760-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E01760-03Size:50 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14235-81-5
Synonyms
4-ethynylaniline;4-Ethynylbenzenamine; (4-Ethynylphenyl) amine; 1-Amino-4-ethynylbenzene; 4-Amino-1-ethynylbenzene; 4-Aminophenylacetylene; 4-Aminophenylethyne; P-APAC; p-Aminophenylacetylene; p-Ethynylaniline
Molecular Formula
C8H7N
Molecular Weight
117.15
API Name
Erlotinib

Chemical Information

4-Ethynylaniline

4-ethynylaniline is a substituted aniline.

CAS Number14235-81-5
PubChem CID3760025
IUPAC Name4-ethynylaniline
Molecular FormulaC8H7N
Molecular Weight117.15
XLogP1.3
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity123
SMILES
C#CC1=CC=C(C=C1)N
InChI
InChI=1S/C8H7N/c1-2-7-3-5-8(9)6-4-7/h1,3-6H,9H2
InChIKey
JXYITCJMBRETQX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Ethynylaniline
CAS: 14235-81-5
CID: 3760025
Formula: C8H7N
MW: 117.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight117.15
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass117.057849228
Monoisotopic Mass117.057849228
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity123
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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Alternative Products

CatalogName
sc-2388384-Ethynylaniline
ANB60193-012-Chloro-4-ethynylaniline
OR84074-013-Chloro-4-ethynylaniline
OR1001404-014-Chloro-3-ethynylaniline
233143-014-Ethynylaniline 98+% (HPLC)
OR1025689-012-Methyl-4-Ethynylaniline
OR875122-Bromo-4-ethynylaniline
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