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4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine

ChemBase ID: 340912
Molecular Formular: C11H19N3O
Molecular Mass: 209.28806
Monoisotopic Mass: 209.15281224
SMILES and InChIs

SMILES:
N1(Cc2ncc[nH]2)C(COCC1)CCC
Canonical SMILES:
CCCC1COCCN1Cc1ncc[nH]1
InChI:
InChI=1S/C11H19N3O/c1-2-3-10-9-15-7-6-14(10)8-11-12-4-5-13-11/h4-5,10H,2-3,6-9H2,1H3,(H,12,13)
InChIKey:
OQNHKXRKHZRRNB-UHFFFAOYSA-N

Cite this record

CBID:340912 http://www.chembase.cn/molecule-340912.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine
IUPAC Traditional name
4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine
Synonyms
4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13946756 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

供应商提供(Chembridge) JChem
Polar Surface Area 41.15 Å2 Rotatable Bonds
H Acceptors H Donor
Log P 1.29  LOG S -0.83 
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 12.618156  H Acceptors
H Donor LogD (pH = 5.5) 0.1574488 
LogD (pH = 7.4) 0.9934898  Log P 1.0345047 
Molar Refractivity 59.5008 cm3 Polarizability 23.361317 Å3
Polar Surface Area 41.15 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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