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660395-39-1 molecular structure
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4-(2-azidoethyl)morpholine

ChemBase ID: 89417
Molecular Formular: C6H12N4O
Molecular Mass: 156.18568
Monoisotopic Mass: 156.10111102
SMILES and InChIs

SMILES:
N1(CCN=[N+]=[N-])CCOCC1
Canonical SMILES:
[N-]=[N+]=NCCN1CCOCC1
InChI:
InChI=1S/C6H12N4O/c7-9-8-1-2-10-3-5-11-6-4-10/h1-6H2
InChIKey:
KBEOLKFODUELIW-UHFFFAOYSA-N

Cite this record

CBID:89417 http://www.chembase.cn/molecule-89417.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(2-azidoethyl)morpholine
IUPAC Traditional name
4-(2-azidoethyl)morpholine
Synonyms
2-(4-Morpholino)ethylazide
2-Morpholin-4-ylethylazide 98%
CAS Number
660395-39-1
MDL Number
MFCD01320909
PubChem SID
162076297
PubChem CID
2737015

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR4968 external link Add to cart Please log in.
Data Source Data ID
PubChem 2737015 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.235727  H Acceptors
H Donor LogD (pH = 5.5) -1.2449906 
LogD (pH = 7.4) -0.10264046  Log P -0.8294237 
Molar Refractivity 41.6474 cm3 Polarizability 15.57463 Å3
Polar Surface Area 41.9 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
74-76°C expand Show data source
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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