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1329834-37-8 molecular structure
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2-[(2H3)methylamino]-1-(3-methylphenyl)propan-1-one hydrochloride

ChemBase ID: 173907
Molecular Formular: C11H16ClNO
Molecular Mass: 213.70384
Monoisotopic Mass: 213.09204182
SMILES and InChIs

SMILES:
c1ccc(cc1C)C(=O)C(NC)C.Cl
Canonical SMILES:
CNC(C(=O)c1cccc(c1)C)C.Cl
InChI:
InChI=1S/C11H15NO.ClH/c1-8-5-4-6-10(7-8)11(13)9(2)12-3;/h4-7,9,12H,1-3H3;1H
InChIKey:
RPFQEIQTWQWCQH-UHFFFAOYSA-N

Cite this record

CBID:173907 http://www.chembase.cn/molecule-173907.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(2H3)methylamino]-1-(3-methylphenyl)propan-1-one hydrochloride
IUPAC Traditional name
2-[(2H3)methylamino]-1-(3-methylphenyl)propan-1-one hydrochloride
Synonyms
3-Methyl Ephedrone-d3 Hydrochloride
3-Methyl Methcathinone-d3 Hydrochloride
CAS Number
1329834-37-8
PubChem SID
164229817
PubChem CID
71750437

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M320322 external link Add to cart
PubChem 71750437 external link
Data Source Data ID Price
TRC
M320322 external link Add to cart Please log in.
Data Source Data ID
PubChem 71750437 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.542212  H Acceptors
H Donor LogD (pH = 5.5) -0.3469395 
LogD (pH = 7.4) 1.3872666  Log P 2.1215296 
Molar Refractivity 54.1302 cm3 Polarizability 21.051405 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
DMSO expand Show data source
Methanol expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
185-187°C expand Show data source
Storage Condition
Hygroscopic, -20°C Freezer, Under Inert Atmosphere expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M320322 external link
A labelled Methcathinone derivative.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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