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1450-94-8 molecular structure
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1-methyl-1H-imidazol-2-amine hydrochloride

ChemBase ID: 802099
Molecular Formular: C4H8ClN3
Molecular Mass: 133.57942
Monoisotopic Mass: 133.04067495
SMILES and InChIs

SMILES:
Cl.n1(c(ncc1)N)C
Canonical SMILES:
Cn1ccnc1N.Cl
InChI:
InChI=1S/C4H7N3.ClH/c1-7-3-2-6-4(7)5;/h2-3H,1H3,(H2,5,6);1H
InChIKey:
JWMWVKLQTDSFTD-UHFFFAOYSA-N

Cite this record

CBID:802099 http://www.chembase.cn/molecule-802099.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-1H-imidazol-2-amine hydrochloride
IUPAC Traditional name
1-methylimidazol-2-amine hydrochloride
Synonyms
1-METHYL-1H-IMIDAZOL-2-AMINE HYDROCHLORIDE
CAS Number
1450-94-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O18484 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O18484 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.1394114  LogD (pH = 7.4) -1.0697463 
Log P -0.06622409  Molar Refractivity 28.0832 cm3
Polarizability 10.050536 Å3 Polar Surface Area 43.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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