Home > Compound List > Compound details
1196152-74-5 molecular structure
click picture or here to close

4-methylmorpholine-2-carbonitrile

ChemBase ID: 284170
Molecular Formular: C6H10N2O
Molecular Mass: 126.1564
Monoisotopic Mass: 126.07931295
SMILES and InChIs

SMILES:
N#CC1OCCN(C1)C
Canonical SMILES:
CN1CC(OCC1)C#N
InChI:
InChI=1S/C6H10N2O/c1-8-2-3-9-6(4-7)5-8/h6H,2-3,5H2,1H3
InChIKey:
IBCPDVSPWGQWTK-UHFFFAOYSA-N

Cite this record

CBID:284170 http://www.chembase.cn/molecule-284170.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methylmorpholine-2-carbonitrile
IUPAC Traditional name
4-methylmorpholine-2-carbonitrile
Synonyms
4-methylmorpholine-2-carbonitrile
CAS Number
1196152-74-5
MDL Number
MFCD13190418
PubChem SID
180669701
PubChem CID
54595892

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 54595892 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.3585152  LogD (pH = 7.4) -0.281518 
Log P -0.28044254  Molar Refractivity 33.8718 cm3
Polarizability 13.127866 Å3 Polar Surface Area 36.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.481 expand Show data source
Purity
95% expand Show data source
98% 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