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77894-69-0 molecular structure
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1-methyl-1H-indazol-4-amine

ChemBase ID: 64326
Molecular Formular: C8H9N3
Molecular Mass: 147.17716
Monoisotopic Mass: 147.0796473
SMILES and InChIs

SMILES:
c12cnn(c1cccc2N)C
Canonical SMILES:
Nc1cccc2c1cnn2C
InChI:
InChI=1S/C8H9N3/c1-11-8-4-2-3-7(9)6(8)5-10-11/h2-5H,9H2,1H3
InChIKey:
FVIZXLDFWPPPDX-UHFFFAOYSA-N

Cite this record

CBID:64326 http://www.chembase.cn/molecule-64326.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-1H-indazol-4-amine
IUPAC Traditional name
1-methylindazol-4-amine
Synonyms
1-Methyl-1H-indazol-4-amine
1-Methyl-1H-indazol-4-amine
4-Amino-1-methyl-1H-indazole
1-Methyl-1H-indazol-4-ylamine
CAS Number
77894-69-0
MDL Number
MFCD09870041
PubChem SID
162030065
PubChem CID
153838

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.59030503  LogD (pH = 7.4) 0.5910483 
Log P 0.5910578  Molar Refractivity 55.9895 cm3
Polarizability 17.560621 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
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
97% 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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