4-Methoxy-N-methylaniline

CAT: 0024-sc-232824Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-232824Size:1 g

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CAS Number

5961-59-1

Chemical Information

N-Methyl-4-anisidine

CAS Number	5961-59-1
PubChem CID	22250
IUPAC Name	4-methoxy-N-methylaniline
Molecular Formula	C8H11NO
Molecular Weight	137.18
XLogP	2.1
Topological Polar Surface Area	21.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	87

SMILES

CNC1=CC=C(C=C1)OC

InChI

InChI=1S/C8H11NO/c1-9-7-3-5-8(10-2)6-4-7/h3-6,9H,1-2H3

InChIKey

JFXDIXYFXDOZIT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5961-59-1

CID: 22250

Formula: C8H11NO

MW: 137.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	137.18
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	137.084063974
Monoisotopic Mass	137.084063974
Topological Polar Surface Area	21.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	87.3
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
sc-290125	4-Chloro-2-methoxy-N-methylaniline
sc-290125A	4-Chloro-2-methoxy-N-methylaniline
sc-225453	2-Methoxy-N-methylaniline
sc-226114	3-Methoxy-N-methylaniline
sc-232809	4-Methoxy-2-methylaniline
sc-349573B	4-methoxy-3-methylaniline
sc-232809A	4-Methoxy-2-methylaniline
sc-349573C	4-methoxy-3-methylaniline
sc-349573	4-methoxy-3-methylaniline
sc-266713	3-Methoxy-4-methylaniline

Catalog	Name
JH361133	4-Methoxy-N-methylaniline
HY-W012615S	4-Methoxy-N-methylaniline-d3
OR75698-01	4-Methoxy-N-methylaniline hydrochloride
432285-01	4-Fluoro-2-methoxy-N-methylaniline
431524-01	4-Chloro-2-methoxy-N-methylaniline
WTB98982-01	3-Fluoro-4-methoxy-N-methylaniline
JH918482	4-Fluoro-3-methoxy-N-methylaniline
QDA23441-01	3-Chloro-4-methoxy-N-methylaniline
OR1044739-01	N- (2-Chloroethyl) -4-methoxy-N-methylaniline
OR90949-01	3-Methoxy-N-methylaniline