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50593-30-1 molecular structure
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2-methyl-2H-indazol-6-amine

ChemBase ID: 43256
Molecular Formular: C8H9N3
Molecular Mass: 147.17716
Monoisotopic Mass: 147.0796473
SMILES and InChIs

SMILES:
c12nn(cc1ccc(c2)N)C
Canonical SMILES:
Nc1ccc2c(c1)nn(c2)C
InChI:
InChI=1S/C8H9N3/c1-11-5-6-2-3-7(9)4-8(6)10-11/h2-5H,9H2,1H3
InChIKey:
MHCWLERQNFATHZ-UHFFFAOYSA-N

Cite this record

CBID:43256 http://www.chembase.cn/molecule-43256.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-2H-indazol-6-amine
IUPAC Traditional name
2-methylindazol-6-amine
Synonyms
2-Methyl-2H-indazol-6-amine
2-Methyl-2H-indazol-6-amine
6-Amino-2-methyl-2H-indazole
CAS Number
50593-30-1
MDL Number
MFCD00464866
PubChem SID
162048019
PubChem CID
590220

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.9456602  LogD (pH = 7.4) 0.9474837 
Log P 0.947507  Molar Refractivity 55.74 cm3
Polarizability 17.566975 Å3 Polar Surface Area 43.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
148 - 150 °C expand Show data source
148-150°C expand Show data source
Partition Coefficient
0.681 expand Show data source
Storage Condition
Store under N2 expand Show data source
Storage Warning
Harmful/Irritant/Keep Cold expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
95+% expand Show data source
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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