CAS 64057-70-1|(±)-3,4-亚甲二氧基甲基苯异丙胺盐酸盐溶液|(±)-3,4-Methylenedioxymethamphetamine hydrochloride solution|MDMA hydrochloride|DL-MDMA 盐酸盐溶液|[1-(2H-1,3-benzodioxol-5-yl)propan-2-y...

General Information

Structure

Molecular Formula

C₁₁H₁₆ClNO₂

Molecular Mass

229.70324

Exact Mass

229.08695644

Charge

InChI

InChI=1S/C11H15NO2.ClH/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10;/h3-4,6,8,12H,5,7H2,1-2H3;1H

InChIKey

LUWHVONVCYWRMZ-UHFFFAOYSA-N

Canonic Smiles

CNC(Cc1ccc2c(c1)OCO2)C.Cl

Isomeric Smiles

CC(Cc1ccc2c(c1)OCO2)NC.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.3648726

LogD (pH = 7.4)

-0.76064247

Log P

1.8600644

Molar Refractivity

54.2467

Polarizability

21.603132

Polar Surface Area

30.49

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

(±)-3,4-亚甲二氧基甲基苯异丙胺盐酸盐溶液(±)-3,4-Methylenedioxymethamphetamine hydrochloride solutionDL-MDMA 盐酸盐溶液DL-3,4-亚甲二氧基甲基苯异丙胺DL-MDMA 盐酸盐(±)-3,4-Methylenedioxymethamphetamine hydrochloride摇头丸XTC 盐酸盐XTC 盐酸盐溶液DL-3,4-亚甲二氧基甲基苯异丙胺盐酸盐溶液(±)-MDMA 盐酸盐(±)-3,4-亚甲二氧基甲基苯异丙胺盐酸盐(±)-MDMA hydrochlorideXTC hydrochlorideDL-3,4-Methylenedioxymethamphetamine hydrochloride solutionXTC hydrochloride solutionDL-MDMA hydrochloride solutionDL-3,4-MethylenedioxymethamphetamineEcstasyDL-MDMA hydrochlorideMDMA HydrochlorideNSC 1683833,4-Methylenedioxy Methamphetamine Hydrochloride Ecstasy Hydrochloride3,4-Methylenedioxymethylamphetamine HydrochlorideN,α-Dimethyl-1,3-benzodioxole-5-ethanamine Hydrochloride

IUPAC Traditional name

MDMA hydrochloride

IUPAC name

[1-(2H-1,3-benzodioxol-5-yl)propan-2-yl](methyl)amine hydrochloride

Names and Identifiers

Registration numbers

MDL Number

MFCD00079444

PubChem SID

2489696924897006162225058

CAS Number

64057-70-1

PubChem CID

71285

Registration numbers

Properties

Physical Property

11 °C

51.8 °F

H2O: soluble

Product Information

analytical standard, for drug analysis

1.0 mg/mL±5% in methanol

~1 mg/mL in methanol

C11H15NO2 · HCl

(limited shelf life, expiry date on the label)

≥98.5% (HPLC)

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

M6403

Biochem/physiol Actions
迷幻剂；从轴突终末释放羟色胺和多巴胺；选择性血清素能神经毒素。

65963

Biochem/physiol Actions
Hallucinogen; releases serotonin and dopamine from axon terminals; selective serotonergic neurotoxin.

18087

Packaging
ampoule contains 1.2mL solution

TRC

M303985

3,4-Methylenedioxymethamphetamine (MDMA) is an Entactogen; It is the N-methyl derivative of MDA. The (S)-form of MDMA possesses more potent CNS activity than the (R) form of MDMA.MDMA is controlled substance (hallucinogen).

Molecule Details

References

PubChem Literature

From Data Sources

• Escubedo, E., et al.: J. Pharmacol. Exp. Ther., 315, 658 (1978)

• Tretter, L., et al.: Neurochem. Int., 50, 139 (1978)

• Ellison, G., et al.: Science, 201, 276 (1978)

• Fayuk, D., et al.: J. Physiol., 566, 759 (1978)

References

Bioactivity

PubChem BioAssay

Bioactivity