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1060811-85-9 molecular structure
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[1-(2-chloropyridin-4-yl)cyclopropyl]methanamine

ChemBase ID: 814889
Molecular Formular: C9H11ClN2
Molecular Mass: 182.65004
Monoisotopic Mass: 182.06107604
SMILES and InChIs

SMILES:
C(N)C1(CC1)c1cc(ncc1)Cl
Canonical SMILES:
NCC1(CC1)c1ccnc(c1)Cl
InChI:
InChI=1S/C9H11ClN2/c10-8-5-7(1-4-12-8)9(6-11)2-3-9/h1,4-5H,2-3,6,11H2
InChIKey:
VEMYVDUXLJYXIH-UHFFFAOYSA-N

Cite this record

CBID:814889 http://www.chembase.cn/molecule-814889.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1-(2-chloropyridin-4-yl)cyclopropyl]methanamine
IUPAC Traditional name
[1-(2-chloropyridin-4-yl)cyclopropyl]methanamine
Synonyms
(1-(2-chloropyridin-4-yl)cyclopropyl)methanamine
CAS Number
1060811-85-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37124 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37124 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) -1.7054082  LogD (pH = 7.4) -0.70005363 
Log P 1.2734727  Molar Refractivity 50.0631 cm3
Polarizability 19.439346 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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