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883547-15-7 molecular structure
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4,5,6,7-tetrahydro-1H-indazol-3-ylmethanamine

ChemBase ID: 17522
Molecular Formular: C8H13N3
Molecular Mass: 151.20892
Monoisotopic Mass: 151.11094743
SMILES and InChIs

SMILES:
c12c([nH]nc1CN)CCCC2
Canonical SMILES:
NCc1n[nH]c2c1CCCC2
InChI:
InChI=1S/C8H13N3/c9-5-8-6-3-1-2-4-7(6)10-11-8/h1-5,9H2,(H,10,11)
InChIKey:
UNDOPZXTORKIIL-UHFFFAOYSA-N

Cite this record

CBID:17522 http://www.chembase.cn/molecule-17522.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,5,6,7-tetrahydro-1H-indazol-3-ylmethanamine
IUPAC Traditional name
4,5,6,7-tetrahydro-1H-indazol-3-ylmethanamine
Synonyms
C-(4,5,6,7-Tetrahydro-1H-indazol-3-yl)-methylamine
CAS Number
883547-15-7
MDL Number
MFCD06753030
PubChem SID
160980829
PubChem CID
3163200

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
019560 external link Add to cart Please log in.
Data Source Data ID
PubChem 3163200 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.424356  H Acceptors
H Donor LogD (pH = 5.5) -1.9449906 
LogD (pH = 7.4) -0.31324834  Log P 0.701018 
Molar Refractivity 45.2103 cm3 Polarizability 16.978462 Å3
Polar Surface Area 54.7 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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