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4'-Dimethylaminophenyl Acetylene

CAT: 0572-TRC-D456710-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D456710-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17573-94-3
Synonyms
4-Ethynyl-N,N-dimethylbenzenamine; (4-Ethynylphenyl)dimethylamine; 1-(Dimethylamino)-4-ethynylbenzene; 1-Ethynyl-4-(dimethylamino)benzene; 4-(Dimethylamino)phenylethyne; 4-Dimethylaminophenylacetylene; 4-Ethynyl-N,N-dimethylaminobenzene; 4-Ethynyl-N,N-dimethylaniline; 4-Ethynylphenyl-N,N-dimethylamine; N,N-Dimethyl-4-ethynylaniline; N,N-Methyl-4-ethynylaniline; N-(4-Ethynylphenyl)-N,N-dimethylamine; [4-(N,N-Dimethylamino)phenyl]acetylene; [p-(Dimethylamino)phenyl]acetylene; p-Ethynyl-N,N-dimethylaniline;
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Smiles
CN(C)c1ccc(cc1)C#C
Molecular Formula
C10H11N
Molecular Weight
145.2
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-ethynyl-N,N-dimethylaniline
CAS Number17573-94-3
PubChem CID5191884
IUPAC Name4-ethynyl-N,N-dimethylaniline
Molecular FormulaC10H11N
Molecular Weight145.20
XLogP2.7
Topological Polar Surface Area3.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity155
SMILES
CN(C)C1=CC=C(C=C1)C#C
InChI
InChI=1S/C10H11N/c1-4-9-5-7-10(8-6-9)11(2)3/h1,5-8H,2-3H3
InChIKey
ZWMAYLMVFSCMMS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-ethynyl-N,N-dimethylaniline
CAS: 17573-94-3
CID: 5191884
Formula: C10H11N
MW: 145.20
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight145.20
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass145.089149355
Monoisotopic Mass145.089149355
Topological Polar Surface Area3.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity155
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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OR13098Bis (4-iodophenyl) acetylene
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