Home > Compound List > Compound details
74572-13-7 molecular structure
click picture or here to close

(2S)-2-methylmorpholine

ChemBase ID: 67513
Molecular Formular: C5H11NO
Molecular Mass: 101.14694
Monoisotopic Mass: 101.08406398
SMILES and InChIs

SMILES:
N1C[C@@H](OCC1)C
Canonical SMILES:
C[C@H]1CNCCO1
InChI:
InChI=1S/C5H11NO/c1-5-4-6-2-3-7-5/h5-6H,2-4H2,1H3/t5-/m0/s1
InChIKey:
LQMMFVPUIVBYII-YFKPBYRVSA-N

Cite this record

CBID:67513 http://www.chembase.cn/molecule-67513.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-methylmorpholine
IUPAC Traditional name
(2S)-2-methylmorpholine
Synonyms
(S)-2-Methylmorpholine
CAS Number
74572-13-7
MDL Number
MFCD11506701
PubChem SID
162033248
PubChem CID
36689624

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 36689624 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.8727734  LogD (pH = 7.4) -1.2392805 
Log P 0.0051961015  Molar Refractivity 28.1867 cm3
Polarizability 11.428371 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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