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154094-97-0 molecular structure
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2-(1H-imidazol-1-yl)ethan-1-amine hydrochloride

ChemBase ID: 287960
Molecular Formular: C5H10ClN3
Molecular Mass: 147.606
Monoisotopic Mass: 147.05632502
SMILES and InChIs

SMILES:
NCCn1ccnc1.Cl
Canonical SMILES:
NCCn1cncc1.Cl
InChI:
InChI=1S/C5H9N3.ClH/c6-1-3-8-4-2-7-5-8;/h2,4-5H,1,3,6H2;1H
InChIKey:
VOALRMMSSHIANT-UHFFFAOYSA-N

Cite this record

CBID:287960 http://www.chembase.cn/molecule-287960.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1H-imidazol-1-yl)ethan-1-amine hydrochloride
IUPAC Traditional name
β-aminoethylimidazole hydrochloride
Synonyms
2-(1H-imidazol-1-yl)ethanamine hydrochloride
CAS Number
154094-97-0
PubChem SID
180673491
PubChem CID
17389823

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD163660 Please log in.
Data Source Data ID
PubChem 17389823 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.25303  LogD (pH = 7.4) -3.0010245 
Log P -0.71853197  Molar Refractivity 31.8593 cm3
Polarizability 12.268504 Å3 Polar Surface Area 43.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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