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41820-21-7 molecular structure
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(2R)-1-phenylpropan-2-amine

ChemBase ID: 160584
Molecular Formular: C9H13N
Molecular Mass: 135.20622
Monoisotopic Mass: 135.10479942
SMILES and InChIs

SMILES:
C([C@H](N)C)c1ccccc1
Canonical SMILES:
C[C@H](Cc1ccccc1)N
InChI:
InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1
InChIKey:
KWTSXDURSIMDCE-MRVPVSSYSA-N

Cite this record

CBID:160584 http://www.chembase.cn/molecule-160584.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-1-phenylpropan-2-amine
IUPAC Traditional name
(-)-amphetamine
Synonyms
(αR)-α-Methyl-benzeneethanamine Hydrochloride
(-)-(R)-Amphetamine Hydrochloride
(-)-Amphetamine Hydrochloride
(-)-Phenaminum Hydrochloride
Levamfetamine Hydrochloride
l-(-)-Amphetamine Hydrochloride
l-α-Methylphenethylamine Hydrochloride
l-Amphetamine Hydrochloride
(R)-Amphetamine Hydrochloride
CAS Number
41820-21-7
PubChem SID
162254719
PubChem CID
32893

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A634240 external link Add to cart
PubChem 32893 external link
Data Source Data ID Price
TRC
A634240 external link Add to cart Please log in.
Data Source Data ID
PubChem 32893 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2147744  LogD (pH = 7.4) -0.67093694 
Log P 1.8042505  Molar Refractivity 43.7052 cm3
Polarizability 17.364613 Å3 Polar Surface Area 26.02 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
White Solid expand Show data source
Melting Point
152-154°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 - A634240 external link
CNS stimulant; anorexic.Controlled substance (stimulant).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Warren, M.R., et al.: J. Pharmacol. Exp. Ther., 85, 119 (1945)
  • • Behrendt, W.A, et al.: Arzneim.-Forsch., 13, 711 (1945)
  • • Seiden, L.S., Annu. Rev. Pharmacol. Toxicol., 32, 639 (1945)
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PATENTS

PATENTS

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INTERNET

INTERNET

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