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1211593-50-8 molecular structure
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1-(pyridin-4-yl)cyclobutan-1-amine

ChemBase ID: 804348
Molecular Formular: C9H12N2
Molecular Mass: 148.20498
Monoisotopic Mass: 148.10004839
SMILES and InChIs

SMILES:
C1(CCC1)(N)c1ccncc1
Canonical SMILES:
NC1(CCC1)c1ccncc1
InChI:
InChI=1S/C9H12N2/c10-9(4-1-5-9)8-2-6-11-7-3-8/h2-3,6-7H,1,4-5,10H2
InChIKey:
IDWHILRTFFJHIU-UHFFFAOYSA-N

Cite this record

CBID:804348 http://www.chembase.cn/molecule-804348.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(pyridin-4-yl)cyclobutan-1-amine
IUPAC Traditional name
1-(pyridin-4-yl)cyclobutan-1-amine
Synonyms
1-(PYRIDIN-4-YL)CYCLOBUTANAMINE
CAS Number
1211593-50-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O21283 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O21283 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) -2.2839916  LogD (pH = 7.4) -1.428879 
Log P 0.71524376  Molar Refractivity 44.0763 cm3
Polarizability 17.602537 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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