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91271-65-7 molecular structure
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[4-(morpholin-4-ylmethyl)phenyl]methanol

ChemBase ID: 101169
Molecular Formular: C12H17NO2
Molecular Mass: 207.26888
Monoisotopic Mass: 207.12592879
SMILES and InChIs

SMILES:
N1(Cc2ccc(cc2)CO)CCOCC1
Canonical SMILES:
OCc1ccc(cc1)CN1CCOCC1
InChI:
InChI=1S/C12H17NO2/c14-10-12-3-1-11(2-4-12)9-13-5-7-15-8-6-13/h1-4,14H,5-10H2
InChIKey:
MWVQMAWLNHACQK-UHFFFAOYSA-N

Cite this record

CBID:101169 http://www.chembase.cn/molecule-101169.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[4-(morpholin-4-ylmethyl)phenyl]methanol
IUPAC Traditional name
[4-(morpholin-4-ylmethyl)phenyl]methanol
Synonyms
[4-(morpholinomethyl)phenyl]methanol
CAS Number
91271-65-7
MDL Number
MFCD04974050
PubChem SID
162087894
PubChem CID
2795499

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 2795499 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.004932  H Acceptors
H Donor LogD (pH = 5.5) -0.5778355 
LogD (pH = 7.4) 0.7840717  Log P 0.92879236 
Molar Refractivity 60.4911 cm3 Polarizability 23.476389 Å3
Polar Surface Area 32.7 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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