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82013-51-2 molecular structure
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2-methyl-2H-indazol-4-amine

ChemBase ID: 64329
Molecular Formular: C8H9N3
Molecular Mass: 147.17716
Monoisotopic Mass: 147.0796473
SMILES and InChIs

SMILES:
c12c(nn(c1)C)cccc2N
Canonical SMILES:
Cn1nc2c(c1)c(N)ccc2
InChI:
InChI=1S/C8H9N3/c1-11-5-6-7(9)3-2-4-8(6)10-11/h2-5H,9H2,1H3
InChIKey:
RMCAMILOUFSNOR-UHFFFAOYSA-N

Cite this record

CBID:64329 http://www.chembase.cn/molecule-64329.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-2H-indazol-4-amine
IUPAC Traditional name
2-methylindazol-4-amine
Synonyms
2-Methyl-2H-indazol-4-amine
2-Methyl-2H-indazol-4-amine
4-Amino-2-methyl-2H-indazole 95%
2-Methyl-2H-indazol-4-ylamine
CAS Number
82013-51-2
MDL Number
MFCD09870044
PubChem SID
162030068
PubChem CID
15413170

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.946592  LogD (pH = 7.4) 0.94749546 
Log P 0.947507  Molar Refractivity 55.74 cm3
Polarizability 17.568398 Å3 Polar Surface Area 43.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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