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2272-83-5 molecular structure
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N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide

ChemBase ID: 159267
Molecular Formular: C12H17NO2
Molecular Mass: 207.26888
Monoisotopic Mass: 207.12592879
SMILES and InChIs

SMILES:
c1cccc(c1)[C@H]([C@@H](N(C(=O)C)C)C)O
Canonical SMILES:
O[C@@H]([C@@H](N(C(=O)C)C)C)c1ccccc1
InChI:
InChI=1S/C12H17NO2/c1-9(13(3)10(2)14)12(15)11-7-5-4-6-8-11/h4-9,12,15H,1-3H3/t9-,12-/m0/s1
InChIKey:
ZZGMTCKULVMTDB-CABZTGNLSA-N

Cite this record

CBID:159267 http://www.chembase.cn/molecule-159267.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
IUPAC Traditional name
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
Synonyms
N-[(1S,2R)-2-Hydroxy-1-methyl-2-phenylethyl]-N-methylacetamide
[R-(R*,S*)]-N-(2-Hydroxy-1-methyl-2-phenylethyl)-N-methylacetamide
, L-erythro-N-(β-Hydroxy-α-methylphenethyl)-N-methylacetamide
N-Acetylephedrine
(1S,2R)-(+)-N-Acetyl Ephedrine
CAS Number
2272-83-5
PubChem SID
162253402
PubChem CID
6451383

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A173860 external link Add to cart
PubChem 6451383 external link
Data Source Data ID Price
TRC
A173860 external link Add to cart Please log in.
Data Source Data ID
PubChem 6451383 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.86342  H Acceptors
H Donor LogD (pH = 5.5) 0.9277767 
LogD (pH = 7.4) 0.9277769  Log P 0.927777 
Molar Refractivity 59.2532 cm3 Polarizability 23.197641 Å3
Polar Surface Area 40.54 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A173860 external link
An acetylated derivative of α- and β-Adrenergic agonist Ephedrine with response similar to the parent drug with regards to the immediate onset and short duration of their effects.

REFERENCES

REFERENCES

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  • • Marvola, M. et al.: Acta Pharmacol. Toxicol., 38, 474 (1976)
  • • Fristrom, S. et al.: Acta Pharmacol. Toxicol., 40, 247 (1976)
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PATENTS

PATENTS

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INTERNET

INTERNET

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