3-Demethyl mescaline

CAT: 0926-FD21004-01Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0926-FD21004-01Size:2 mg

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CAS Number

16046-07-4

Smiles

COC1=CC (=CC (=C1OC) O) CCN

Molecular Formula

C10H15NO3

Molecular Weight

197.23 g/mol

Controlled

Yes

Chemical Information

5-(2-Aminoethyl)-2,3-dimethoxyphenol

5-(2-aminoethyl)-2,3-dimethoxyphenol has been reported in Vachellia rigidula with data available.

CAS Number	16046-07-4
PubChem CID	44559361
IUPAC Name	5-(2-aminoethyl)-2,3-dimethoxyphenol
Molecular Formula	C10H15NO3
Molecular Weight	197.23
XLogP	0.4
Topological Polar Surface Area	64.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	165

SMILES

COC1=CC(=CC(=C1OC)O)CCN

InChI

InChI=1S/C10H15NO3/c1-13-9-6-7(3-4-11)5-8(12)10(9)14-2/h5-6,12H,3-4,11H2,1-2H3

InChIKey

PDKPJPTZKPCMKR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16046-07-4

CID: 44559361

Formula: C10H15NO3

MW: 197.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	197.23
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	197.10519334
Monoisotopic Mass	197.10519334
Topological Polar Surface Area	64.7 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	165
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
20-1598	Mescaline antibody
80-1205	Mescaline-HRP
M-3030-01	Mescaline hydrochloride
FAA96742-01	Mescaline hydrogen sulfate
FA17031-01	N-Acetyl mescaline
SDA13795-01	3”-o-Demethyl ivermectin
HEA58577-01	4'-Demethyl-3,9-dihydroeucomin
JNC23634-01	Demethyl calyciphylline A
FD20992-01	Demethyl curcumin
20-1429	Demethyl Salvinorin antibody

Catalog	Name
TRC-D231165-100MG	3-Demethyl Mescaline
271412-01	3-Demethyl mescaline discontinued
M3005-10	Mescaline (3,4,5-trimethoxyphenethylamine) discontinued
MBS653604-01	Mescaline (3,4,5-trimethoxyphenethylamine) (HRP)
M3005-10D	Mescaline (3,4,5-trimethoxyphenethylamine) (HRP) discontinued
MBS342179-01	Mescaline
TRC-T795730-1MG	Mescaline Hydrochloride
MBS5303957-01	Mescaline-HRP
20-1598	Mescaline antibody
abx284121	Mescaline (HRP)