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927802-22-0 molecular structure
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1-(cyclopropylmethyl)-1H-indazol-3-amine

ChemBase ID: 308035
Molecular Formular: C11H13N3
Molecular Mass: 187.24102
Monoisotopic Mass: 187.11094743
SMILES and InChIs

SMILES:
n1(nc(c2c1cccc2)N)CC1CC1
Canonical SMILES:
Nc1nn(c2c1cccc2)CC1CC1
InChI:
InChI=1S/C11H13N3/c12-11-9-3-1-2-4-10(9)14(13-11)7-8-5-6-8/h1-4,8H,5-7H2,(H2,12,13)
InChIKey:
MZLQXIRNYBXNAM-UHFFFAOYSA-N

Cite this record

CBID:308035 http://www.chembase.cn/molecule-308035.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(cyclopropylmethyl)-1H-indazol-3-amine
IUPAC Traditional name
1-(cyclopropylmethyl)indazol-3-amine
Synonyms
1-(cyclopropylmethyl)-1H-indazol-3-amine
CAS Number
927802-22-0
MDL Number
MFCD09054757

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9653176  LogD (pH = 7.4) 1.9660828 
Log P 1.9660926  Molar Refractivity 68.245 cm3
Polarizability 22.356203 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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