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883545-46-8 molecular structure
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(2-methoxyethyl)(thiophen-3-ylmethyl)amine

ChemBase ID: 18222
Molecular Formular: C8H13NOS
Molecular Mass: 171.25992
Monoisotopic Mass: 171.07178504
SMILES and InChIs

SMILES:
c1c(csc1)CNCCOC
Canonical SMILES:
COCCNCc1cscc1
InChI:
InChI=1S/C8H13NOS/c1-10-4-3-9-6-8-2-5-11-7-8/h2,5,7,9H,3-4,6H2,1H3
InChIKey:
FZVKCLMJDZYJHX-UHFFFAOYSA-N

Cite this record

CBID:18222 http://www.chembase.cn/molecule-18222.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-methoxyethyl)(thiophen-3-ylmethyl)amine
IUPAC Traditional name
(2-methoxyethyl)(thiophen-3-ylmethyl)amine
Synonyms
(2-Methoxy-ethyl)-thiophen-3-ylmethyl-amine
(2-methoxyethyl)(3-thienylmethyl)amine
CAS Number
883545-46-8
MDL Number
MFCD07411624
PubChem SID
160981529
PubChem CID
4723871

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4723871 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6957362  LogD (pH = 7.4) -0.12874116 
Log P 1.2650611  Molar Refractivity 47.4553 cm3
Polarizability 18.558702 Å3 Polar Surface Area 21.26 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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