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1060817-08-4 molecular structure
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(1,5-dimethyl-1H-indazol-3-yl)methanamine

ChemBase ID: 308092
Molecular Formular: C10H13N3
Molecular Mass: 175.23032
Monoisotopic Mass: 175.11094743
SMILES and InChIs

SMILES:
n1n(c2c(c1CN)cc(cc2)C)C
Canonical SMILES:
NCc1nn(c2c1cc(C)cc2)C
InChI:
InChI=1S/C10H13N3/c1-7-3-4-10-8(5-7)9(6-11)12-13(10)2/h3-5H,6,11H2,1-2H3
InChIKey:
JSJULHWQCDKODV-UHFFFAOYSA-N

Cite this record

CBID:308092 http://www.chembase.cn/molecule-308092.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1,5-dimethyl-1H-indazol-3-yl)methanamine
IUPAC Traditional name
(1,5-dimethylindazol-3-yl)methanamine
Synonyms
1-(1,5-dimethyl-1H-indazol-3-yl)methanamine
CAS Number
1060817-08-4
MDL Number
MFCD11053913

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6606147  LogD (pH = 7.4) -0.1576249 
Log P 1.1406455  Molar Refractivity 64.2815 cm3
Polarizability 21.58141 Å3 Polar Surface Area 43.84 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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