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34843-84-0 molecular structure
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2-(thiophen-3-yl)ethan-1-amine hydrochloride

ChemBase ID: 88177
Molecular Formular: C6H10ClNS
Molecular Mass: 163.6683
Monoisotopic Mass: 163.02224801
SMILES and InChIs

SMILES:
s1cc(cc1)CCN.Cl
Canonical SMILES:
NCCc1cscc1.Cl
InChI:
InChI=1S/C6H9NS.ClH/c7-3-1-6-2-4-8-5-6;/h2,4-5H,1,3,7H2;1H
InChIKey:
PYUCPHDVJORSMA-UHFFFAOYSA-N

Cite this record

CBID:88177 http://www.chembase.cn/molecule-88177.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(thiophen-3-yl)ethan-1-amine hydrochloride
IUPAC Traditional name
2-(thiophen-3-yl)ethanamine hydrochloride
Synonyms
2-(thiophen-3-yl)ethan-1-amine hydrochloride
2-(Thiophen-3-yl)ethanamine hydrochloride
2-(Thien-3-yl)ethylamine hydrochloride
3-(2-Aminoethyl)thiophene hydrochloride
CAS Number
34843-84-0
MDL Number
MFCD09265521
PubChem SID
162075201
PubChem CID
12258738

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12258738 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8367493  LogD (pH = 7.4) -1.0647765 
Log P 1.1681174  Molar Refractivity 36.3922 cm3
Polarizability 14.099807 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
203 - 205°C expand Show data source
Hydrophobicity(logP)
1.079 expand Show data source
Storage Warning
Irritant expand Show data source
Purity
95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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