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93963-24-7 molecular structure
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ethyl[1-(4-methoxyphenyl)propan-2-yl]amine hydrochloride

ChemBase ID: 168221
Molecular Formular: C12H20ClNO
Molecular Mass: 229.7463
Monoisotopic Mass: 229.12334195
SMILES and InChIs

SMILES:
c1cc(ccc1CC(NCC)C)OC.Cl
Canonical SMILES:
CCNC(Cc1ccc(cc1)OC)C.Cl
InChI:
InChI=1S/C12H19NO.ClH/c1-4-13-10(2)9-11-5-7-12(14-3)8-6-11;/h5-8,10,13H,4,9H2,1-3H3;1H
InChIKey:
KWQLOEWGKCQLPR-UHFFFAOYSA-N

Cite this record

CBID:168221 http://www.chembase.cn/molecule-168221.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl[1-(4-methoxyphenyl)propan-2-yl]amine hydrochloride
IUPAC Traditional name
para-methoxyethylamphetamine hydrochloride
Synonyms
N-Ethyl-4-methoxy-α-methylbenzeneethanamine Hydrochloride
(±)-N-Ethyl-p-methoxyamphetamine Hydrochloride
2-Ethylamino-1-(4'-methoxyphenyl)propane Hydrochloride
N-Ethyl-p-methoxy-α-methylphenethylamine Hydrochloride
N-Ethyl-4-methoxy Amphetamine Hydrochloride
ethyl[1-(4-methoxyphenyl)propan-2-yl]amine hydrochloride
CAS Number
93963-24-7
MDL Number
MFCD00060152
PubChem SID
162262353
PubChem CID
198672

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 198672 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.79366475  LogD (pH = 7.4) -0.2881138 
Log P 2.4359674  Molar Refractivity 59.6916 cm3
Polarizability 23.52782 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
162 - 164°C expand Show data source
Hydrophobicity(logP)
2.336 expand Show data source
MSDS Link
Download expand Show data source
Purity
95% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - E679550 external link
An analogue of the CNS stimulant Amphetamine (A634248) with increased analgesic effects.Controlled Substance.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Bustamante, D. et al.: Pharmacol. Biochem. Behav., 79, 199 (2004)
  • • Zaitsu, K. et al.: Forens. Sci. Int., 177, 77 (2004)
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PATENTS

PATENTS

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INTERNET

INTERNET

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