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1060808-98-1 molecular structure
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1-(4-chloropyridin-3-yl)cyclopropan-1-amine

ChemBase ID: 815136
Molecular Formular: C8H9ClN2
Molecular Mass: 168.62346
Monoisotopic Mass: 168.04542598
SMILES and InChIs

SMILES:
C1(CC1)(N)c1cnccc1Cl
Canonical SMILES:
Clc1ccncc1C1(N)CC1
InChI:
InChI=1S/C8H9ClN2/c9-7-1-4-11-5-6(7)8(10)2-3-8/h1,4-5H,2-3,10H2
InChIKey:
YCLPRMUFZMTZKE-UHFFFAOYSA-N

Cite this record

CBID:815136 http://www.chembase.cn/molecule-815136.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-chloropyridin-3-yl)cyclopropan-1-amine
IUPAC Traditional name
1-(4-chloropyridin-3-yl)cyclopropan-1-amine
Synonyms
1-(4-chloropyridin-3-yl)cyclopropanamine
CAS Number
1060808-98-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37395 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37395 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) -2.0282693  LogD (pH = 7.4) -0.70971304 
Log P 0.87471974  Molar Refractivity 44.2801 cm3
Polarizability 17.621098 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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