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55496-62-3 molecular structure
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methyl[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amine

ChemBase ID: 310435
Molecular Formular: C7H12N2S
Molecular Mass: 156.24858
Monoisotopic Mass: 156.07211939
SMILES and InChIs

SMILES:
n1c(c(sc1)CCNC)C
Canonical SMILES:
CNCCc1scnc1C
InChI:
InChI=1S/C7H12N2S/c1-6-7(3-4-8-2)10-5-9-6/h5,8H,3-4H2,1-2H3
InChIKey:
QUGIPZIKYUZUKS-UHFFFAOYSA-N

Cite this record

CBID:310435 http://www.chembase.cn/molecule-310435.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amine
IUPAC Traditional name
methyl[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amine
Synonyms
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CAS Number
55496-62-3
MDL Number
MFCD08060723

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.457058  LogD (pH = 7.4) -1.5385369 
Log P 0.74285823  Molar Refractivity 43.7554 cm3
Polarizability 16.830019 Å3 Polar Surface Area 24.92 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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