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60472-16-4 molecular structure
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5-(4-methylphenyl)-1H-imidazol-2-amine

ChemBase ID: 144092
Molecular Formular: C10H11N3
Molecular Mass: 173.21444
Monoisotopic Mass: 173.09529737
SMILES and InChIs

SMILES:
Cc1ccc(cc1)c1cnc([nH]1)N
Canonical SMILES:
Cc1ccc(cc1)c1cnc([nH]1)N
InChI:
InChI=1S/C10H11N3/c1-7-2-4-8(5-3-7)9-6-12-10(11)13-9/h2-6H,1H3,(H3,11,12,13)
InChIKey:
WUUWJSLGMMTAGF-UHFFFAOYSA-N

Cite this record

CBID:144092 http://www.chembase.cn/molecule-144092.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(4-methylphenyl)-1H-imidazol-2-amine
IUPAC Traditional name
4-(4-methylphenyl)-3H-imidazol-2-amine
Synonyms
5-(4-Methylphenyl)-1H-imidazol-2-amine
5-(4-methylphenyl)-1H-imidazol-2-amine
CAS Number
60472-16-4
MDL Number
MFCD03308785
MFCD07382493
PubChem SID
162238309
PubChem CID
12733696

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12733696 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.688383  H Acceptors
H Donor LogD (pH = 5.5) 0.71883416 
LogD (pH = 7.4) 0.86221546  Log P 1.7907478 
Molar Refractivity 53.2414 cm3 Polarizability 21.026009 Å3
Polar Surface Area 54.7 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Empirical Formula (Hill Notation)
C10H11N3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - CBR00536 external link
Other Notes
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Legal Information
Product of ChemBridge Corp.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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