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885273-91-6 molecular structure
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benzyl 2-(morpholin-3-yl)acetate

ChemBase ID: 811972
Molecular Formular: C13H17NO3
Molecular Mass: 235.27898
Monoisotopic Mass: 235.12084341
SMILES and InChIs

SMILES:
C(C(=O)OCc1ccccc1)C1COCCN1
Canonical SMILES:
O=C(CC1COCCN1)OCc1ccccc1
InChI:
InChI=1S/C13H17NO3/c15-13(8-12-10-16-7-6-14-12)17-9-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
InChIKey:
KQXPHVYRJYTGTM-UHFFFAOYSA-N

Cite this record

CBID:811972 http://www.chembase.cn/molecule-811972.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzyl 2-(morpholin-3-yl)acetate
IUPAC Traditional name
benzyl 2-(morpholin-3-yl)acetate
Synonyms
MORPHOLIN-3-YL-ACETIC ACID BENZYL ESTER
CAS Number
885273-91-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31640 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31640 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) -0.7382468  LogD (pH = 7.4) 0.88497657 
Log P 1.2337514  Molar Refractivity 63.6038 cm3
Polarizability 25.470499 Å3 Polar Surface Area 47.56 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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