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MFCD06248093 molecular structure
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[2-(3-methoxypropoxy)propyl](methyl)amine

ChemBase ID: 15406
Molecular Formular: C8H19NO2
Molecular Mass: 161.24196
Monoisotopic Mass: 161.14157885
SMILES and InChIs

SMILES:
N(CC(OCCCOC)C)C
Canonical SMILES:
CNCC(OCCCOC)C
InChI:
InChI=1S/C8H19NO2/c1-8(7-9-2)11-6-4-5-10-3/h8-9H,4-7H2,1-3H3
InChIKey:
SMDYZCOYLAQLDD-UHFFFAOYSA-N

Cite this record

CBID:15406 http://www.chembase.cn/molecule-15406.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(3-methoxypropoxy)propyl](methyl)amine
IUPAC Traditional name
[2-(3-methoxypropoxy)propyl](methyl)amine
Synonyms
2-(3-Methoxypropoxy)-N-methyl-1-propanamine
MDL Number
MFCD06248093
PubChem SID
160978713
PubChem CID
45074946

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
015244 external link Add to cart Please log in.
Data Source Data ID
PubChem 45074946 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.017497  LogD (pH = 7.4) -2.1711652 
Log P 0.18970528  Molar Refractivity 46.0646 cm3
Polarizability 18.374706 Å3 Polar Surface Area 30.49 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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