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1029715-21-6 molecular structure
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2-[(3S)-pyrrolidin-3-yloxy]pyridine dihydrochloride

ChemBase ID: 799204
Molecular Formular: C9H14Cl2N2O
Molecular Mass: 237.12626
Monoisotopic Mass: 236.04831844
SMILES and InChIs

SMILES:
Cl.Cl.n1c(cccc1)O[C@@H]1CNCC1
Canonical SMILES:
C1NC[C@H](C1)Oc1ccccn1.Cl.Cl
InChI:
InChI=1S/C9H12N2O.2ClH/c1-2-5-11-9(3-1)12-8-4-6-10-7-8;;/h1-3,5,8,10H,4,6-7H2;2*1H/t8-;;/m0../s1
InChIKey:
XCFDMDXPWYTJMB-JZGIKJSDSA-N

Cite this record

CBID:799204 http://www.chembase.cn/molecule-799204.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(3S)-pyrrolidin-3-yloxy]pyridine dihydrochloride
IUPAC Traditional name
2-[(3S)-pyrrolidin-3-yloxy]pyridine dihydrochloride
Synonyms
(S)-2-(pyrrolidin-3-yloxy)pyridine dihydrochloride
CAS Number
1029715-21-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13483 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.45168  LogD (pH = 7.4) -1.9052047 
Log P 0.7761581  Molar Refractivity 45.9688 cm3
Polarizability 18.271523 Å3 Polar Surface Area 34.15 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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