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154634-94-3 molecular structure
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(3S,5S)-3,5-dimethylmorpholine hydrochloride

ChemBase ID: 290335
Molecular Formular: C6H14ClNO
Molecular Mass: 151.63446
Monoisotopic Mass: 151.07639175
SMILES and InChIs

SMILES:
C[C@H]1COC[C@H](C)N1.Cl
Canonical SMILES:
C[C@H]1COC[C@@H](N1)C.Cl
InChI:
InChI=1S/C6H13NO.ClH/c1-5-3-8-4-6(2)7-5;/h5-7H,3-4H2,1-2H3;1H/t5-,6-;/m0./s1
InChIKey:
SBXQYCSQVMVHQR-GEMLJDPKSA-N

Cite this record

CBID:290335 http://www.chembase.cn/molecule-290335.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3S,5S)-3,5-dimethylmorpholine hydrochloride
IUPAC Traditional name
(3S,5S)-3,5-dimethylmorpholine hydrochloride
Synonyms
(3S,5S)-3,5-Dimethylmorpholine hydrochloride
CAS Number
154634-94-3
MDL Number
MFCD16036180
PubChem SID
180675866
PubChem CID
66876936

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD229261 Please log in.
Data Source Data ID
PubChem 66876936 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.4871504  LogD (pH = 7.4) -0.8753079 
Log P 0.42177114  Molar Refractivity 32.6055 cm3
Polarizability 13.269628 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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