2-Ethoxy-3-methylaniline

CAT: 0127-OR911228-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR911228-01Size:1 g

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CAS Number

1352318-44-5

MDL Number

MFCD20491422

Purity

98%

Smiles

CCOc1c(C)cccc1N

Chemical Information

2-Ethoxy-3-methylaniline

CAS Number	1352318-44-5
PubChem CID	56776545
IUPAC Name	2-ethoxy-3-methylaniline
Molecular Formula	C9H13NO
Molecular Weight	151.21
XLogP	1.9
Topological Polar Surface Area	35.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	116

SMILES

CCOC1=C(C=CC=C1N)C

InChI

InChI=1S/C9H13NO/c1-3-11-9-7(2)5-4-6-8(9)10/h4-6H,3,10H2,1-2H3

InChIKey

WGBOMTKEAQCJGW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1352318-44-5

CID: 56776545

Formula: C9H13NO

MW: 151.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	151.21
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	151.099714038
Monoisotopic Mass	151.099714038
Topological Polar Surface Area	35.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	116
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
417479-01	2-Ethoxy-3-methylaniline
RAA93255-01	4-Ethoxy-3-methylaniline
sc-349426A	4-ethoxy-2-methylaniline
CAA48664-01	3-Ethoxy-4-methylaniline
sc-307887	2-Ethoxy-4-methylaniline
GAA33170	2-Ethoxy-5-methylaniline
YGC02796-01	2-Ethoxy-N-methylaniline hydrochloride
sc-316282	4-Ethoxy-2-methylaniline hydrochloride
sc-316290	4-Ethoxy-3-methylaniline hydrochloride
WMB77401-01	2-[2- (Dimethylamino) ethoxy]-4-methylaniline