3-Methoxyaniline

CAT: 0127-OR28775-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR28775-01Size:5 g

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CAS Number

536-90-3

Synonyms

M-Anisidine, 3-Aminoanisole

MDL Number

MFCD00007783

Purity

=95%

Smiles

COc1cccc(N)c1

Storage Conditions

Store at 2-8°C

Chemical Information

3-Methoxyaniline

3-Methoxyaniline is an aromatic ether and a substituted aniline.

CAS Number	536-90-3
PubChem CID	10824
IUPAC Name	3-methoxyaniline
Molecular Formula	C7H9NO
Molecular Weight	123.15
XLogP	0.9
Topological Polar Surface Area	35.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	85

SMILES

COC1=CC=CC(=C1)N

InChI

InChI=1S/C7H9NO/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H3

InChIKey

NCBZRJODKRCREW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 536-90-3

CID: 10824

Formula: C7H9NO

MW: 123.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	123.15
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	123.068413911
Monoisotopic Mass	123.068413911
Topological Polar Surface Area	35.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	85
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
PC2791-01	3-Fluoro-5-methoxyaniline
OR26465-01	3-Chloro-4-methoxyaniline
OR25701	3- (Cyclopentyloxy) -4-methoxyaniline
OR17601-01	3-Bromo-2-methoxyaniline
PC8204-01	3-Fluoro-4-methoxyaniline
OR9341-01	3-Chloro-2-methoxyaniline
OR313073-01	3-Chloro-5-methoxyaniline
PC5085-01	3-Fluoro-2-methoxyaniline
PC107197	3- (Difluoromethoxy) -4-methoxyaniline
OR40401-01	3-Bromo-5-methoxyaniline