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1130309-67-9 molecular structure
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2-(1-methyl-1H-indazol-5-yl)ethan-1-amine

ChemBase ID: 87466
Molecular Formular: C10H13N3
Molecular Mass: 175.23032
Monoisotopic Mass: 175.11094743
SMILES and InChIs

SMILES:
n1cc2cc(ccc2n1C)CCN
Canonical SMILES:
NCCc1ccc2c(c1)cnn2C
InChI:
InChI=1S/C10H13N3/c1-13-10-3-2-8(4-5-11)6-9(10)7-12-13/h2-3,6-7H,4-5,11H2,1H3
InChIKey:
LHXUJNARGXBDJX-UHFFFAOYSA-N

Cite this record

CBID:87466 http://www.chembase.cn/molecule-87466.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1-methyl-1H-indazol-5-yl)ethan-1-amine
IUPAC Traditional name
2-(1-methylindazol-5-yl)ethanamine
Synonyms
2-(1-Methyl-1H-indazol-5-yl)ethylamine
5-(2-Aminoethyl)-1-methyl-1H-indazole
CAS Number
1130309-67-9
MDL Number
MFCD12028591
PubChem SID
162074524
PubChem CID
44119272

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 44119272 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.1739287  LogD (pH = 7.4) -1.4468851 
Log P 0.8344134  Molar Refractivity 64.5175 cm3
Polarizability 21.582102 Å3 Polar Surface Area 43.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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