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71195-57-8 molecular structure
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1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane

ChemBase ID: 796085
Molecular Formular: C12H15N
Molecular Mass: 173.2542
Monoisotopic Mass: 173.12044949
SMILES and InChIs

SMILES:
C12(CNCC1C2)c1ccc(cc1)C
Canonical SMILES:
Cc1ccc(cc1)C12CNCC2C1
InChI:
InChI=1S/C12H15N/c1-9-2-4-10(5-3-9)12-6-11(12)7-13-8-12/h2-5,11,13H,6-8H2,1H3
InChIKey:
OFYVIGTWSQPCLF-UHFFFAOYSA-N

Cite this record

CBID:796085 http://www.chembase.cn/molecule-796085.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane
IUPAC Traditional name
1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane
Synonyms
1-p-tolyl-3-azabicyclo[3.1.0]hexane
CAS Number
71195-57-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O1374 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Molar Refractivity 54.3087 cm3 Polarizability 21.331299 Å3
Polar Surface Area 12.03 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) -1.1763103 
LogD (pH = 7.4) -0.86237687  Log P 2.0597963 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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