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1072084-99-1 molecular structure
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2-(1,3-thiazol-2-yl)ethan-1-amine hydrochloride

ChemBase ID: 34251
Molecular Formular: C5H9ClN2S
Molecular Mass: 164.65636
Monoisotopic Mass: 164.01749698
SMILES and InChIs

SMILES:
n1c(scc1)CCN.Cl
Canonical SMILES:
NCCc1nccs1.Cl
InChI:
InChI=1S/C5H8N2S.ClH/c6-2-1-5-7-3-4-8-5;/h3-4H,1-2,6H2;1H
InChIKey:
WYVAWIXRBQVQLN-UHFFFAOYSA-N

Cite this record

CBID:34251 http://www.chembase.cn/molecule-34251.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1,3-thiazol-2-yl)ethan-1-amine hydrochloride
IUPAC Traditional name
2-thiazoleethanamine hydrochloride
Synonyms
2-(1,3-Thiazol-2-yl)ethanamine hydrochloride
2-THIAZOL-2-YL-ETHYLAMINE HCL
2-Thiazol-2-yl-ethylamine hydrochloride
CAS Number
1072084-99-1
MDL Number
MFCD06739034
PubChem SID
160997558
PubChem CID
44120524

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 44120524 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.9110305  LogD (pH = 7.4) -1.8992423 
Log P 0.06798622  Molar Refractivity 33.7662 cm3
Polarizability 13.2379465 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
96% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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