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444731-72-0 molecular structure
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2,3-dimethyl-2H-indazol-6-amine

ChemBase ID: 63275
Molecular Formular: C9H11N3
Molecular Mass: 161.20374
Monoisotopic Mass: 161.09529737
SMILES and InChIs

SMILES:
c12c(nn(c1C)C)cc(cc2)N
Canonical SMILES:
Nc1ccc2c(c1)nn(c2C)C
InChI:
InChI=1S/C9H11N3/c1-6-8-4-3-7(10)5-9(8)11-12(6)2/h3-5H,10H2,1-2H3
InChIKey:
PVNVSSNARYHLRF-UHFFFAOYSA-N

Cite this record

CBID:63275 http://www.chembase.cn/molecule-63275.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dimethyl-2H-indazol-6-amine
IUPAC Traditional name
2,3-dimethylindazol-6-amine
Synonyms
6-Amino-2,3-dimethyl-2H-indazole
2,3-Dimethyl-2H-indazol-6-amine
CAS Number
444731-72-0
MDL Number
MFCD09258896
PubChem SID
162029014
PubChem CID
11542827

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11542827 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1447355  LogD (pH = 7.4) 1.1470389 
Log P 1.1470684  Molar Refractivity 60.8897 cm3
Polarizability 19.330175 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
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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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