2,4-Dimethoxyaniline

CAT: 0127-OR11072-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR11072-01Size:25 g

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CAS Number

2735-04-8

MDL Number

MFCD00008371

Purity

=95%

Smiles

COc1ccc(N)c(OC)c1

Chemical Information

2,4-Dimethoxyaniline

2,4-dimethoxyaniline is a black crystalline solid. (NTP, 1992)

CAS Number	2735-04-8
PubChem CID	17652
IUPAC Name	2,4-dimethoxyaniline
Molecular Formula	C8H11NO2
Molecular Weight	153.18
XLogP	1.2
Topological Polar Surface Area	44.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	119

SMILES

COC1=CC(=C(C=C1)N)OC

InChI

InChI=1S/C8H11NO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,9H2,1-2H3

InChIKey

GEQNZVKIDIPGCO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2735-04-8

CID: 17652

Formula: C8H11NO2

MW: 153.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.18
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	153.078978594
Monoisotopic Mass	153.078978594
Topological Polar Surface Area	44.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	119
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