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211814-15-2 molecular structure
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N-ethyloxan-4-amine

ChemBase ID: 308656
Molecular Formular: C7H15NO
Molecular Mass: 129.2001
Monoisotopic Mass: 129.11536411
SMILES and InChIs

SMILES:
O1CCC(NCC)CC1
Canonical SMILES:
CCNC1CCOCC1
InChI:
InChI=1S/C7H15NO/c1-2-8-7-3-5-9-6-4-7/h7-8H,2-6H2,1H3
InChIKey:
MRBDURJWQDYZGN-UHFFFAOYSA-N

Cite this record

CBID:308656 http://www.chembase.cn/molecule-308656.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-ethyloxan-4-amine
IUPAC Traditional name
N-ethyloxan-4-amine
Synonyms
N-ethyltetrahydro-2H-pyran-4-amine
CAS Number
211814-15-2
MDL Number
MFCD06658446

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4087925 external link Add to cart 4032839 external link Add to cart
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.1087854  LogD (pH = 7.4) -2.7193186 
Log P 0.12511557  Molar Refractivity 37.9175 cm3
Polarizability 15.112169 Å3 Polar Surface Area 21.26 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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