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7684-27-7 molecular structure
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3-benzylmorpholine

ChemBase ID: 799391
Molecular Formular: C11H15NO
Molecular Mass: 177.2429
Monoisotopic Mass: 177.11536411
SMILES and InChIs

SMILES:
C1(COCCN1)Cc1ccccc1
Canonical SMILES:
O1CCNC(C1)Cc1ccccc1
InChI:
InChI=1S/C11H15NO/c1-2-4-10(5-3-1)8-11-9-13-7-6-12-11/h1-5,11-12H,6-9H2
InChIKey:
LSXCLMMIDIVSFG-UHFFFAOYSA-N

Cite this record

CBID:799391 http://www.chembase.cn/molecule-799391.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-benzylmorpholine
IUPAC Traditional name
3-benzylmorpholine
Synonyms
3-benzylmorpholine
CAS Number
7684-27-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13942 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13942 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) -1.0074255  LogD (pH = 7.4) 0.7092888 
Log P 1.6615225  Molar Refractivity 52.8057 cm3
Polarizability 20.961266 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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