3,4-Dimethoxyaniline

CAT: 0127-OR4959-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR4959-01Size:25 g

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CAS Number

6315-89-5

Synonyms

4-Aminoveratrole

MDL Number

MFCD00008394

Purity

98%

Smiles

COc1ccc(N)cc1OC

Storage Conditions

Store at 2-8°C

Chemical Information

3,4-Dimethoxyaniline

3,4-dimethoxyaniline is a brown powder. (NTP, 1992)

CAS Number	6315-89-5
PubChem CID	22770
IUPAC Name	3,4-dimethoxyaniline
Molecular Formula	C8H11NO2
Molecular Weight	153.18
XLogP	1.4
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=C(C=C(C=C1)N)OC

InChI

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

InChIKey

LGDHZCLREKIGKJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6315-89-5

CID: 22770

Formula: C8H11NO2

MW: 153.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.18
XLogP3	1.4
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

Catalog	Name
OR322716	4-Bromo-3,5-dimethoxyaniline
PC7135-01	3-Fluoro-2,4-dimethoxyaniline
OR93137-01	4-Chloro-3,5-dimethoxyaniline
OR11072-01	2,4-Dimethoxyaniline
OR5935-01	3,5-Dimethoxyaniline
PC1007458-01	3,5-Difluoro-2,4-dimethoxyaniline
OR963549-01	2,3-Dimethoxyaniline
PC500706	5-Bromo-3-fluoro-2,4-dimethoxyaniline
OR1010813-01	3,5-Dimethoxyaniline Hydrochloride
OR29265-01	2-Chloro-4,6-dimethoxyaniline

Catalog	Name
TRC-D470605-1G	3,4-Dimethoxyaniline
HJA27547-01	4-Bromo-3,5-dimethoxyaniline
RG-P022806-01	N-Ethyl-3,4-Dimethoxyaniline
sc-314498	4- (4-Bromobenzyl) -3,5-dimethoxyaniline
BJA41921-01	4-Chloro-3,5-dimethoxyaniline
425570-01	3-Fluoro-2,4-dimethoxyaniline
QDA00654-01	3-Chloro-4,5-dimethoxyaniline
abx180999-01	2,4-Dimethoxyaniline
PBA21714-01	N-Benzyl-3,4-dimethoxyaniline
FD22196-01	3,5-Dimethoxyaniline