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500305-98-6 molecular structure
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(3-chloropyridin-2-yl)methanamine

ChemBase ID: 799178
Molecular Formular: C6H7ClN2
Molecular Mass: 142.58618
Monoisotopic Mass: 142.02977591
SMILES and InChIs

SMILES:
C(N)c1ncccc1Cl
Canonical SMILES:
NCc1ncccc1Cl
InChI:
InChI=1S/C6H7ClN2/c7-5-2-1-3-9-6(5)4-8/h1-3H,4,8H2
InChIKey:
QPRZPKGMUJBNPY-UHFFFAOYSA-N

Cite this record

CBID:799178 http://www.chembase.cn/molecule-799178.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-chloropyridin-2-yl)methanamine
IUPAC Traditional name
(3-chloropyridin-2-yl)methanamine
Synonyms
(3-chloropyridin-2-yl)methanamine
CAS Number
500305-98-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13450 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13450 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) -2.0224726  LogD (pH = 7.4) -0.3656129 
Log P 0.5668584  Molar Refractivity 36.6571 cm3
Polarizability 14.681422 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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