4-Ethynyl-N, N-dimethylaniline

CAT: 0926-SAA57394Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-SAA57394Size:5 g

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CAS Number

17573-94-3

MDL Number

MFCD00168816

Smiles

CN (C) C1=CC=C (C=C1) C#C

Molecular Formula

C10H11N

Molecular Weight

145.2 g/mol

Controlled

Chemical Information

4-ethynyl-N,N-dimethylaniline

CAS Number	17573-94-3
PubChem CID	5191884
IUPAC Name	4-ethynyl-N,N-dimethylaniline
Molecular Formula	C10H11N
Molecular Weight	145.20
XLogP	2.7
Topological Polar Surface Area	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	155

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

CAS: 17573-94-3

CID: 5191884

Formula: C10H11N

MW: 145.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	145.20
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	145.089149355
Monoisotopic Mass	145.089149355
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	155
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AAA70156-01	4-Methoxy-N, N-dimethylaniline
FCA09685-01	4-[ (Benzylamino) methyl]-N, N-dimethylaniline
FD00090-01	N, N-Dimethylaniline
BAA70347-01	4- (Chloromethyl) -N, N-dimethylaniline hydrochloride
JBD30906-01	4- (Hydrazinylmethyl) -N, N-dimethylaniline dihydrochloride
DVA53671-01	4- (3-Aminophenyl) -N, N-dimethylaniline
RDA80015-01	4- (1-Aminoethyl) -N, N-dimethylaniline
FDA94874-01	4-Bromo-3, N-dimethylaniline
RBA45655	3-Chloro-N,4-dimethylaniline
GDA09031	2-bromo-N,4-dimethylaniline

Catalog	Name
sc-254661	4-Ethynyl-N, N-dimethylaniline
OR1064639-01	4- ((4-Ethynylphenyl) ethynyl) -N, N-dimethylaniline
GTR19254792-01	N,4-Dimethylaniline
TRC-B683845-50G	4-Bromo-N,N-dimethylaniline
sc-357723A	4-Butyl-N, N-dimethylaniline
sc-238783	4-Bromo-N, N-dimethylaniline
OR1024598-01	4-Vinylidenebis (N, N-Dimethylaniline)
OR1054252	4-Azido-N, N-dimethylaniline
sc-480291	4-Methoxy-N, N-dimethylaniline
OR89961-01	4-Iodo-N, N-dimethylaniline