Home > Compound List > Compound details
311774-34-2 molecular structure
click picture or here to close

4-[(6-chloropyridin-3-yl)methyl]morpholine

ChemBase ID: 37146
Molecular Formular: C10H13ClN2O
Molecular Mass: 212.67602
Monoisotopic Mass: 212.07164073
SMILES and InChIs

SMILES:
n1c(Cl)ccc(CN2CCOCC2)c1
Canonical SMILES:
Clc1ccc(cn1)CN1CCOCC1
InChI:
InChI=1S/C10H13ClN2O/c11-10-2-1-9(7-12-10)8-13-3-5-14-6-4-13/h1-2,7H,3-6,8H2
InChIKey:
SGGCJTJHZSXKJT-UHFFFAOYSA-N

Cite this record

CBID:37146 http://www.chembase.cn/molecule-37146.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[(6-chloropyridin-3-yl)methyl]morpholine
IUPAC Traditional name
4-[(6-chloropyridin-3-yl)methyl]morpholine
Synonyms
4-[(6-Chloropyridin-3-yl)methyl]morpholine
4-((6-chloropyridin-3-yl)methyl)morpholine
4-[(6-chloro-3-pyridinyl)methyl]morpholine
CAS Number
311774-34-2
MDL Number
MFCD00684829
PubChem SID
161000453
PubChem CID
3614045

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0355057  LogD (pH = 7.4) 1.2980673 
Log P 1.3026916  Molar Refractivity 57.3844 cm3
Polarizability 22.061195 Å3 Polar Surface Area 25.36 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.189 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% 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