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350595-57-2 molecular structure
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(3S)-3-methylmorpholine

ChemBase ID: 812648
Molecular Formular: C5H11NO
Molecular Mass: 101.14694
Monoisotopic Mass: 101.08406398
SMILES and InChIs

SMILES:
[C@@H]1(COCCN1)C
Canonical SMILES:
C[C@H]1COCCN1
InChI:
InChI=1S/C5H11NO/c1-5-4-7-3-2-6-5/h5-6H,2-4H2,1H3/t5-/m0/s1
InChIKey:
SFWWGMKXCYLZEG-YFKPBYRVSA-N

Cite this record

CBID:812648 http://www.chembase.cn/molecule-812648.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3S)-3-methylmorpholine
IUPAC Traditional name
(3S)-3-methylmorpholine
Synonyms
(S)-3-METHYLMORPHOLINE
CAS Number
350595-57-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O33079 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O33079 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) -2.8545377  LogD (pH = 7.4) -1.2097597 
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

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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