2-Methoxy-5-methylaniline

CAT: 0127-OR905244Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-OR905244Size:100 g

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CAS Number

120-71-8

MDL Number

MFCD00007815

Purity

98%

Smiles

COc1ccc(C)cc1N

Chemical Information

2-Methoxy-5-Methylaniline

p-Cresidine can cause cancer according to an independent committee of scientific and health experts.

CAS Number	120-71-8
PubChem CID	8445
IUPAC Name	2-methoxy-5-methylaniline
Molecular Formula	C8H11NO
Molecular Weight	137.18
XLogP	1.7
Topological Polar Surface Area	35.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	105

SMILES

CC1=CC(=C(C=C1)OC)N

InChI

InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3

InChIKey

WXWCDTXEKCVRRO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 120-71-8

CID: 8445

Formula: C8H11NO

MW: 137.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	137.18
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	137.084063974
Monoisotopic Mass	137.084063974
Topological Polar Surface Area	35.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	105
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
OR910498-01	5-Methoxy-2-methylaniline
OR400868	3-Methoxy-5-methylaniline
OR1006066	5-Bromo-3-methoxy-2-methylaniline
OR947349-01	2-Bromo-5-methoxy-4-methylaniline
OR400211	5-Iodo-2-methoxy-4-methylaniline
OR909849-01	5-Chloro-4-methoxy-2-methylaniline
PC56131-01	5-Fluoro-2-methoxy-4-methylaniline
PC32752	2-Fluoro-5-methoxy-4-methylaniline
OR912452-01	5-Chloro-2-methoxy-4-methylaniline
OR912694-01	5-Bromo-2-methoxy-3-methylaniline

Catalog	Name
TRC-M336795-1G	5-Methoxy-2-methylaniline
S-2415	2-Methoxy-5-methylaniline
CS-O-42298	5- (Methoxy-d3) -2-methylaniline
160630	3-Methoxy-5-methylaniline
IHB13398-01	5-Bromo-2-methoxy-4-methylaniline
436072-01	5-Chloro-2-methoxy-4-methylaniline
UNA79449-01	2-Chloro-4-methoxy-5-methylaniline
BAA76073-01	5-Chloro-2-methoxy-3-methylaniline
sc-307030	2-Bromo-5-methoxy-4-methylaniline
MCA49246	5-Chloro-4-methoxy-2-methylaniline