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49656-78-2 molecular structure
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2-(methylamino)-1-phenylpropan-1-one hydrochloride

ChemBase ID: 130668
Molecular Formular: C10H14ClNO
Molecular Mass: 199.67726
Monoisotopic Mass: 199.07639175
SMILES and InChIs

SMILES:
CC(C(=O)c1ccccc1)NC.Cl
Canonical SMILES:
CNC(C(=O)c1ccccc1)C.Cl
InChI:
InChI=1S/C10H13NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,11H,1-2H3;1H
InChIKey:
LTJXNCHDKYZOSY-UHFFFAOYSA-N

Cite this record

CBID:130668 http://www.chembase.cn/molecule-130668.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(methylamino)-1-phenylpropan-1-one hydrochloride
IUPAC Traditional name
methcathinone hydrochloride
Synonyms
2-(Methylamino)propiophenone hydrochloride solution
1-Propanone, 2-(methylamino)-1-phenyl-, hydrochloride
Methcathinone hydrochloride
dl-Ephedrone hydrochloride
2-(Methylamino)propiophenone hydrochloride
2-(Methylamino)-1-phenyl-1-propanone Hydrochloride
(+/-)-Methcathinone Hydrochloride
Ephedrone Hydrochloride
Monomethylpropion Hydrochloride
UR 1431 Hydrochloride
Methcathinone Hydrochloride
2-(甲氨基)苯丙酮 盐酸盐 溶液
2-(甲氨基)苯丙酮 盐酸盐
CAS Number
49656-78-2
EC Number
200-659-6
MDL Number
MFCD00012380
PubChem SID
24896972
24897272
162224946
PubChem CID
458517

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 458517 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.516659  H Acceptors
H Donor LogD (pH = 5.5) -0.8403567 
LogD (pH = 7.4) 0.8932843  Log P 1.6081082 
Molar Refractivity 49.089 cm3 Polarizability 19.285154 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Methanol expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
179-184°C expand Show data source
Flash Point
11 °C expand Show data source
51.8 °F expand Show data source
Storage Condition
Controlled Substance, -20°C Freezer expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Toxic Toxic (T) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1230 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-23/24/25-39/23/24/25 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
7-16-36/37-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
Warning expand Show data source
GHS Hazard statements
H225-H301-H311-H331-H370 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P260-P280-P301 + P310-P311 expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1230 3/PG 2 expand Show data source
Drug Control
Home Office Schedule 1; stupéfiant; kontrollierte Droge in Deutschland expand Show data source
USDEA Schedule I; Home Office Schedule 1; stupéfiant; kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada expand Show data source
Storage Temperature
2-8°C expand Show data source
Concentration
1.0 mg/mL±5% in methanol expand Show data source
Grade
drug standard expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - M5037 external link
Biochem/physiol Actions
Potent amphetamine-like stimulant; dimethylpropion metabolite.
Other Notes
Mixture of optical isomers.
Sigma Aldrich - M8536 external link
Other Notes
光学异构体混合物
Toronto Research Chemicals - M225925 external link
Controlled substance (stimulant).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Markantonis, S.L., et al.: J. Pharm. Pharmacol., 38, 515 (1986)
  • • Zhingel, K.Y., et al.: J. Forensic Sci., 36, 915 (1986)
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PATENTS

PATENTS

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INTERNET

INTERNET

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