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1060811-38-2 molecular structure
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1-(2-bromopyridin-3-yl)cyclopropan-1-amine

ChemBase ID: 814864
Molecular Formular: C8H9BrN2
Molecular Mass: 213.07446
Monoisotopic Mass: 211.9949103
SMILES and InChIs

SMILES:
C1(CC1)(N)c1c(nccc1)Br
Canonical SMILES:
Brc1ncccc1C1(N)CC1
InChI:
InChI=1S/C8H9BrN2/c9-7-6(2-1-5-11-7)8(10)3-4-8/h1-2,5H,3-4,10H2
InChIKey:
ARPCKXKAOQDNLA-UHFFFAOYSA-N

Cite this record

CBID:814864 http://www.chembase.cn/molecule-814864.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-bromopyridin-3-yl)cyclopropan-1-amine
IUPAC Traditional name
1-(2-bromopyridin-3-yl)cyclopropan-1-amine
Synonyms
1-(2-bromopyridin-3-yl)cyclopropanamine
CAS Number
1060811-38-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37097 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37097 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) -1.6708097  LogD (pH = 7.4) -0.38847533 
Log P 1.2449497  Molar Refractivity 47.9403 cm3
Polarizability 18.585957 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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