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680973-08-4 molecular structure
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[1-(pyridin-4-yl)cyclopropyl]methanamine

ChemBase ID: 802801
Molecular Formular: C9H12N2
Molecular Mass: 148.20498
Monoisotopic Mass: 148.10004839
SMILES and InChIs

SMILES:
C(N)C1(CC1)c1ccncc1
Canonical SMILES:
NCC1(CC1)c1ccncc1
InChI:
InChI=1S/C9H12N2/c10-7-9(3-4-9)8-1-5-11-6-2-8/h1-2,5-6H,3-4,7,10H2
InChIKey:
ALFWXUALIKPMMK-UHFFFAOYSA-N

Cite this record

CBID:802801 http://www.chembase.cn/molecule-802801.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1-(pyridin-4-yl)cyclopropyl]methanamine
IUPAC Traditional name
[1-(pyridin-4-yl)cyclopropyl]methanamine
Synonyms
1-(4-PYRIDINYL)-CYCLOPROPANEMETHANAMINE
CAS Number
680973-08-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O19353 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O19353 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.7096658  LogD (pH = 7.4) -1.5454777 
Log P 0.44925082  Molar Refractivity 44.197 cm3
Polarizability 17.524302 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

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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