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162254728 molecular structure
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2-(2H5)phenyl-2-[(1-phenylpropan-2-yl)amino]acetonitrile

ChemBase ID: 160593
Molecular Formular: C17H18N2
Molecular Mass: 250.33822
Monoisotopic Mass: 250.14699859
SMILES and InChIs

SMILES:
c1cccc(c1)CC(NC(c1ccccc1)C#N)C
Canonical SMILES:
N#CC(c1ccccc1)NC(Cc1ccccc1)C
InChI:
InChI=1S/C17H18N2/c1-14(12-15-8-4-2-5-9-15)19-17(13-18)16-10-6-3-7-11-16/h2-11,14,17,19H,12H2,1H3
InChIKey:
NFHVTCJKAHYEQN-UHFFFAOYSA-N

Cite this record

CBID:160593 http://www.chembase.cn/molecule-160593.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2H5)phenyl-2-[(1-phenylpropan-2-yl)amino]acetonitrile
IUPAC Traditional name
2-(2H5)phenyl-2-[(1-phenylpropan-2-yl)amino]acetonitrile
Synonyms
α-[(1-Methyl-2-phenylethyl)amino]benzeneacetonitrile-d5
N-(α-Methylphenethyl)-2-phenylglycinonitrile-d5
AN 1-d5
Amfetaminil-d5
Aponeuron-d5
N-(β-Phenylisopropyl)-α-aminophenylacetonitrile-d5
NSC 67172-d5
dl-Amphetaminil-d5
α-Phenyl-α-(1-phenylisopropyl)aminoacetonitrile-d5
α-Phenyl-α-N-(1-phenylisopropyl)aminoacetonitrile-d5
Amphetaminil-d5(Mixture of Diastereomers)
PubChem SID
162254728
PubChem CID
71313391

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A634287 external link Add to cart
PubChem 71313391 external link
Data Source Data ID Price
TRC
A634287 external link Add to cart Please log in.
Data Source Data ID
PubChem 71313391 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.925003  H Acceptors
H Donor LogD (pH = 5.5) 3.4290016 
LogD (pH = 7.4) 3.7042627  Log P 3.7091925 
Molar Refractivity 77.9016 cm3 Polarizability 30.505339 Å3
Polar Surface Area 35.82 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 - A634287 external link
Labelled Amphetaminil (A634285). Psychotropic.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Remberg, et al.: Arch. Toxicol., 29, 153 (1972)
  • • Beyrich, et al.: Pharmazie, 27, 28 (1972)
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PATENTS

PATENTS

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INTERNET

INTERNET

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