Home > Compound List > Compound details
110167-20-9 molecular structure
click picture or here to close

(4-benzylmorpholin-3-yl)methanol

ChemBase ID: 795825
Molecular Formular: C12H17NO2
Molecular Mass: 207.26888
Monoisotopic Mass: 207.12592879
SMILES and InChIs

SMILES:
C(O)C1COCCN1Cc1ccccc1
Canonical SMILES:
OCC1COCCN1Cc1ccccc1
InChI:
InChI=1S/C12H17NO2/c14-9-12-10-15-7-6-13(12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
InChIKey:
CPLXVETYMUMERG-UHFFFAOYSA-N

Cite this record

CBID:795825 http://www.chembase.cn/molecule-795825.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-benzylmorpholin-3-yl)methanol
IUPAC Traditional name
(4-benzylmorpholin-3-yl)methanol
Synonyms
(4-BenzylMorpholin-3-yl)Methanol
CAS Number
110167-20-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O748 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O748 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.038294  H Acceptors
H Donor LogD (pH = 5.5) -0.51617724 
LogD (pH = 7.4) 0.8973926  Log P 1.0658072 
Molar Refractivity 59.6377 cm3 Polarizability 23.483105 Å3
Polar Surface Area 32.7 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

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