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1394838-42-6 molecular structure
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(1-methyl-1H-imidazol-4-yl)methanamine hydrochloride

ChemBase ID: 289523
Molecular Formular: C5H10ClN3
Molecular Mass: 147.606
Monoisotopic Mass: 147.05632502
SMILES and InChIs

SMILES:
NCc1cn(C)cn1.Cl
Canonical SMILES:
Cn1cc(nc1)CN.Cl
InChI:
InChI=1S/C5H9N3.ClH/c1-8-3-5(2-6)7-4-8;/h3-4H,2,6H2,1H3;1H
InChIKey:
IZCXIDUANMMARI-UHFFFAOYSA-N

Cite this record

CBID:289523 http://www.chembase.cn/molecule-289523.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1-methyl-1H-imidazol-4-yl)methanamine hydrochloride
IUPAC Traditional name
(1-methylimidazol-4-yl)methanamine hydrochloride
Synonyms
(1-Methyl-1H-imidazol-4-yl)methanamine hydrochloride
CAS Number
1394838-42-6
PubChem SID
180675054
PubChem CID
53350316

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD222697 Please log in.
Data Source Data ID
PubChem 53350316 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.4277956  LogD (pH = 7.4) -1.8875661 
Log P -0.71430784  Molar Refractivity 31.8607 cm3
Polarizability 12.265514 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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