4-Ethylaniline

CAT: 0926-FE61846-02Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-FE61846-02Size:25 g

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CAS Number

589-16-2

MDL Number

MFCD00007921

Smiles

CCC1=CC=C (C=C1) N

Molecular Formula

C8H11N

Molecular Weight

121.18 g/mol

Controlled

Chemical Information

4-Ethylaniline

CAS Number	589-16-2
PubChem CID	11504
IUPAC Name	4-ethylaniline
Molecular Formula	C8H11N
Molecular Weight	121.18
XLogP	2
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	72

SMILES

CCC1=CC=C(C=C1)N

InChI

InChI=1S/C8H11N/c1-2-7-3-5-8(9)6-4-7/h3-6H,2,9H2,1H3

InChIKey

HRXZRAXKKNUKRF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 589-16-2

CID: 11504

Formula: C8H11N

MW: 121.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	121.18
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	121.089149355
Monoisotopic Mass	121.089149355
Topological Polar Surface Area	26 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	72.6
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
QCA57013-01	4-Ethoxy-N-ethylaniline
DZB09822-01	4- (Aminomethyl) -N-ethylaniline
CCA12142	4-Bromo-3-ethylaniline
WEA36677-01	4-Chloro-N-cyano-N-ethylaniline
FWB56208-01	2- (Ethanesulfonyl) -N-ethylaniline
WAA18421-01	N-Cyano-N-ethylaniline
FN26375-01	N-Nitroso-N-ethylaniline
YQA15169-01	3-bromo-N-ethylaniline
KJB73620	2-Chloro-N-ethylaniline hydrochloride
ADA03145-01	2-tert-Butyl-N-ethylaniline

Catalog	Name
TN9185-01	4-Ethylaniline
HY-Y0013S	4-Ethylaniline-d11
OR1002097-01	2-Bromo-4-ethylaniline
sc-357643	4- (Trifluoromethylsulphonyl) -N-ethylaniline
OR2039-01	4-Chloro-N-ethylaniline
AR-A06586-01	3-Chloro-4-ethylaniline
266499-01	3-Bromo-4-ethylaniline
sc-232439	4-Bromo-2-ethylaniline
OR1094810-01	2-Chloro-4-ethylaniline
OR87601-01	N-Cyclobutyl-4-ethylaniline