3,4-Dma hydrochloride

CAT: 0926-NAA07875-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-NAA07875-01Size:25 mg

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CAS Number

13078-75-6

MDL Number

MFCD01708312

Smiles

CC (CC1=CC (=C (C=C1) OC) OC) N.Cl

Molecular Formula

C11H18ClNO2

Molecular Weight

231.72 g/mol

Controlled

Yes

Chemical Information

3,4-Dimethoxyamphetamine hydrochloride

CAS Number	13078-75-6
PubChem CID	114461
IUPAC Name	1-(3,4-dimethoxyphenyl)propan-2-amine;hydrochloride
Molecular Formula	C11H18ClNO2
Molecular Weight	231.72
Topological Polar Surface Area	44.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	163

SMILES

CC(CC1=CC(=C(C=C1)OC)OC)N.Cl

InChI

InChI=1S/C11H17NO2.ClH/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3;/h4-5,7-8H,6,12H2,1-3H3;1H

InChIKey

CERQYUUAGZXWKV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13078-75-6

CID: 114461

Formula: C11H18ClNO2

MW: 231.72

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.72
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	231.1026065
Monoisotopic Mass	231.1026065
Topological Polar Surface Area	44.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	163
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
ECA68743-01	Methyl-DMA
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SEB10061-01	3,4-Dimethylpyrrolidine hydrochloride
FD55731-01	3,4-Dimethylbenzylamine hydrochloride
TFA26930-01	3,4-Dipropoxyaniline hydrochloride
WSB67812-01	3,4-Diethylaniline hydrochloride
FM175836	3,4-Methylenedioxyphenethylamine hydrochloride
M-3680-01	3,4-Methylenedioxymethamphetamine hydrochloride
QXB19797	DLin-KC2-DMA

Catalog	Name
427158-01	3,4-DMA Hydrochloride
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T204662-01	2,4-DMA hydrochloride
HY-168832-01	N-Benzyl-3,4-DMA (hydrochloride)
HY-W713313-01	3,5-DMA (hydrochloride)
HY-170742-01	N, N-Dimethyl-3,4-DMA (hydrochloride)
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