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137048-94-3 molecular structure
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butyl[3-(morpholin-4-yl)propyl]amine

ChemBase ID: 11693
Molecular Formular: C11H24N2O
Molecular Mass: 200.32106
Monoisotopic Mass: 200.1888634
SMILES and InChIs

SMILES:
N1(CCCNCCCC)CCOCC1
Canonical SMILES:
CCCCNCCCN1CCOCC1
InChI:
InChI=1S/C11H24N2O/c1-2-3-5-12-6-4-7-13-8-10-14-11-9-13/h12H,2-11H2,1H3
InChIKey:
AWXNXBGZWQGAMM-UHFFFAOYSA-N

Cite this record

CBID:11693 http://www.chembase.cn/molecule-11693.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
butyl[3-(morpholin-4-yl)propyl]amine
IUPAC Traditional name
butyl[3-(morpholin-4-yl)propyl]amine
Synonyms
Butyl-(3-morpholin-4-yl-propyl)-amine
CAS Number
137048-94-3
MDL Number
MFCD03701722
PubChem SID
160975000
PubChem CID
3151943

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
008651 external link Add to cart Please log in.
Data Source Data ID
PubChem 3151943 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.9126675  LogD (pH = 7.4) -1.9903189 
Log P 0.99112433  Molar Refractivity 60.526 cm3
Polarizability 24.013033 Å3 Polar Surface Area 24.5 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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