3,4-Dimethoxy-N-methylaniline

CAT: 0127-OR1042558-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1042558-01Size:100 mg

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CAS Number

35162-34-6

Purity

97%

Smiles

COc1cc(NC)ccc1OC

Chemical Information

3,4-dimethoxy-N-methylaniline

CAS Number	35162-34-6
PubChem CID	2786955
IUPAC Name	3,4-dimethoxy-N-methylaniline
Molecular Formula	C9H13NO2
Molecular Weight	167.20
XLogP	2.1
Topological Polar Surface Area	30.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	130

SMILES

CNC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C9H13NO2/c1-10-7-4-5-8(11-2)9(6-7)12-3/h4-6,10H,1-3H3

InChIKey

PGBJWAKHAFOCEL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 35162-34-6

CID: 2786955

Formula: C9H13NO2

MW: 167.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.20
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	167.094628657
Monoisotopic Mass	167.094628657
Topological Polar Surface Area	30.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	130
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
OR1096501-01	3,5-dimethoxy-N-methylaniline
OR1051262-01	2,4-Dimethoxy-5-methylaniline
OR1011335-01	4,5-Dimethoxy-2-Methylaniline
PC103620-01	3,4-Difluoro-N-methylaniline
OR1014007-01	N- (4-Methoxybenzyl) -3-Methylaniline
OR1093816	3-Bromo-N, N-diethyl-4-methylaniline
OR1091945-01	3,4-Dimethoxy-N, N-dimethylbenzothioamide
PC100309-01	3-Chloro-4-fluoro-N-methylaniline
PC1001615-01	4-Fluoro-3-methoxy-N-methylaniline
OR90484-01	N-BOC-4-bromo-3-methylaniline

Catalog	Name
JYB73954-01	3,4-Dimethoxy-N-methylaniline hydrochloride
BDA03055-01	2,4-Dimethoxy-N-methylaniline
DDA02593-01	3,5-Dimethoxy-4-methylaniline
XWC13205-01	3,5-Dimethoxy-N-methylaniline hydrochloride
EJB62572-01	3,5-Dimethoxy-4-methylaniline hydrochloride
TRC-D472808-25MG	2,5-Dimethoxy-N-methylaniline
sc-281435	4,5-Dimethoxy-2-methylaniline
ZRB75379	4,5-Dimethoxy-2-methylaniline hydrochloride
IBA58040-01	3,5-Dimethoxy-2-methylaniline hydrochloride
ZGA19746-01	N- (3-Methoxypropyl) -4-methylaniline