Home > Compound List > Compound details
1264033-82-0 molecular structure
click picture or here to close

4-(pyrrolidin-3-yloxy)pyridine hydrochloride

ChemBase ID: 799246
Molecular Formular: C9H13ClN2O
Molecular Mass: 200.66532
Monoisotopic Mass: 200.07164073
SMILES and InChIs

SMILES:
Cl.n1ccc(cc1)OC1CNCC1
Canonical SMILES:
C1NCC(C1)Oc1ccncc1.Cl
InChI:
InChI=1S/C9H12N2O.ClH/c1-4-10-5-2-8(1)12-9-3-6-11-7-9;/h1-2,4-5,9,11H,3,6-7H2;1H
InChIKey:
JVISUMSUTIGTRO-UHFFFAOYSA-N

Cite this record

CBID:799246 http://www.chembase.cn/molecule-799246.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(pyrrolidin-3-yloxy)pyridine hydrochloride
IUPAC Traditional name
4-(pyrrolidin-3-yloxy)pyridine hydrochloride
Synonyms
4-(pyrrolidin-3-yloxy)pyridine hydrochloride
CAS Number
1264033-82-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13618 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13618 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) -3.745693  LogD (pH = 7.4) -2.5805595 
Log P 0.18170057  Molar Refractivity 45.6553 cm3
Polarizability 18.265247 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

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle